From b02af93dc416d90df5251e078887e8aaf6426d3f Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 04:52:26 +0100 Subject: [PATCH 1/6] maxime commit --- maxime/.gitignore | 3 + maxime/Make_final_csv.ipynb | 627 + maxime/TECR-Hackathon-Cactus.ipynb | 11591 +++++++++++ maxime/TECR-Hackathon-KEGG-CheBI.ipynb | 16624 ++++++++++++++++ maxime/TECR-SMILES-VISUALIZE.ipynb | 319 + maxime/cactus_dict.pkl | Bin 0 -> 15095 bytes maxime/compound_dict.pkl | Bin 0 -> 126193 bytes maxime/compounds.csv | 1053 + maxime/errors_actual_data_sheet_maxime.txt | 243 + maxime/final_compound_csv.csv | 1053 + maxime/images/rdkit/(-)-menthol(sln).gif | Bin 0 -> 2181 bytes .../rdkit/(-)-menthyl dodecanoate(sln).gif | Bin 0 -> 1960 bytes .../rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif | Bin 0 -> 3385 bytes .../rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif | Bin 0 -> 3480 bytes .../rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif | Bin 0 -> 3407 bytes .../rdkit/(3S)-3,6-diaminohexanoate(aq).gif | Bin 0 -> 2240 bytes 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maxime/images/rdkit/urea(aq).gif | Bin 0 -> 2625 bytes maxime/images/rdkit/uridine(aq).gif | Bin 0 -> 3296 bytes maxime/images/rdkit/urocanate(aq).gif | Bin 0 -> 3025 bytes maxime/images/rdkit/vitamin A alcohol(aq).gif | Bin 0 -> 2069 bytes .../images/rdkit/vitamin A aldehyde(aq).gif | Bin 0 -> 2133 bytes maxime/images/rdkit/xanthine(aq).gif | Bin 0 -> 4194 bytes .../rdkit/xanthine-8-carboxylate(aq).gif | Bin 0 -> 3830 bytes maxime/images/rdkit/xanthosine(aq).gif | Bin 0 -> 3860 bytes maxime/images/rdkit/xylitol(aq).gif | Bin 0 -> 2455 bytes ...61,\316\261-trifluoro-m-toluidine(aq).gif" | Bin 0 -> 2785 bytes maxime/kegg_dict.pkl | Bin 0 -> 64383 bytes 370 files changed, 31513 insertions(+) create mode 100644 maxime/.gitignore create mode 100644 maxime/Make_final_csv.ipynb create mode 100644 maxime/TECR-Hackathon-Cactus.ipynb create mode 100644 maxime/TECR-Hackathon-KEGG-CheBI.ipynb create mode 100644 maxime/TECR-SMILES-VISUALIZE.ipynb create mode 100644 maxime/cactus_dict.pkl create mode 100644 maxime/compound_dict.pkl create mode 100644 maxime/compounds.csv create mode 100644 maxime/errors_actual_data_sheet_maxime.txt create mode 100644 maxime/final_compound_csv.csv create mode 100644 maxime/images/rdkit/(-)-menthol(sln).gif create mode 100644 maxime/images/rdkit/(-)-menthyl dodecanoate(sln).gif create mode 100644 maxime/images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif create mode 100644 maxime/images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif create mode 100644 maxime/images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/(R)-(+)-1-phenyl ethanol(sln).gif create mode 100644 maxime/images/rdkit/(R)-(+)-1-phenyl-1-butanol(sln).gif create mode 100644 maxime/images/rdkit/(R)-(+)-1-phenyl-1-propanol(sln).gif create mode 100644 maxime/images/rdkit/(R)-(+)-1-phenyl-1-propyl acetate(sln).gif create mode 100644 maxime/images/rdkit/(R)-2-methylmalate(aq).gif create mode 100644 maxime/images/rdkit/(R)-acetoin(aq).gif create mode 100644 maxime/images/rdkit/(R)-glyceraldehyde(aq).gif create mode 100644 maxime/images/rdkit/(R)-glycerate(aq).gif create mode 100644 maxime/images/rdkit/(R)-malate(aq).gif create mode 100644 maxime/images/rdkit/(R,R)-2,3-butanediol(aq).gif create mode 100644 maxime/images/rdkit/(R,S)-malyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/(S)-(+)-2-octanol(sln).gif create mode 100644 maxime/images/rdkit/(S)-2-heptanol(sln).gif create mode 100644 maxime/images/rdkit/(S)-2-methylmalate(aq).gif create mode 100644 maxime/images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif create mode 100644 maxime/images/rdkit/(S)-dihydroorotate(aq).gif create mode 100644 maxime/images/rdkit/(S)-lactaldehyde(aq).gif create mode 100644 maxime/images/rdkit/(S)-proline(aq).gif create mode 100644 "maxime/images/rdkit/(\302\261)-2-hexanol(sln).gif" create mode 100644 "maxime/images/rdkit/(\302\261)-2-pentanol(sln).gif" create mode 100644 "maxime/images/rdkit/(\302\261)-cis-2-methyl-1-cyclohexanol(sln).gif" create mode 100644 "maxime/images/rdkit/(\302\261)-cis-2-phenyl-1-cyclohexanol(sln).gif" create mode 100644 "maxime/images/rdkit/(\302\261)-trans-2-methyl-1-cyclohexanol(sln).gif" create mode 100644 "maxime/images/rdkit/(\302\261)-trans-2-phenyl-1-cyclohexanol(sln).gif" create mode 100644 maxime/images/rdkit/1,2,3-trioctanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/1,2-dioctanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/1,2-propanediol(aq).gif create mode 100644 maxime/images/rdkit/1,3-dioctanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif create mode 100644 maxime/images/rdkit/1-butanol(aq).gif create mode 100644 maxime/images/rdkit/1-butanol(sln).gif create mode 100644 maxime/images/rdkit/1-butyl oleate(sln).gif create mode 100644 maxime/images/rdkit/1-decanoic acid(sln).gif create mode 100644 maxime/images/rdkit/1-dodecanoic acid(sln).gif create mode 100644 maxime/images/rdkit/1-dodecanol(sln).gif create mode 100644 maxime/images/rdkit/1-mono-octanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/1-monooctanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/1-nonanol.gif create mode 100644 maxime/images/rdkit/1-octanol(aq).gif create mode 100644 maxime/images/rdkit/1-phenyl-1-ethanone(sln).gif create mode 100644 maxime/images/rdkit/1-phenyl-1-heptanone(sln).gif create mode 100644 maxime/images/rdkit/1-phenyl-1-hexanone(sln).gif create mode 100644 maxime/images/rdkit/1-phenyl-1-pentanone(sln).gif create mode 100644 maxime/images/rdkit/1-phenyl-1-propanone(sln).gif create mode 100644 maxime/images/rdkit/1-propanol(aq).gif create mode 100644 maxime/images/rdkit/1-sinapoyl-D-glucose(aq).gif create mode 100644 maxime/images/rdkit/11-cis-retinal(aq).gif create mode 100644 maxime/images/rdkit/2'-deoxyadenosine(aq).gif create mode 100644 maxime/images/rdkit/2'-deoxyinosine(aq).gif create mode 100644 maxime/images/rdkit/2,2'-iminodipropanoate(aq).gif create mode 100644 maxime/images/rdkit/2,3-dimethylmalate(aq).gif create mode 100644 maxime/images/rdkit/2,4-diaminopentanoate(aq).gif create mode 100644 maxime/images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif create mode 100644 maxime/images/rdkit/2-amino-4-oxopentanoate(aq).gif create mode 100644 maxime/images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif create mode 100644 maxime/images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif create mode 100644 maxime/images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif create mode 100644 maxime/images/rdkit/2-heptanone(sln).gif create mode 100644 maxime/images/rdkit/2-hexanone(sln).gif create mode 100644 maxime/images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif create mode 100644 maxime/images/rdkit/2-methyl-1-cyclohexanone(sln).gif create mode 100644 maxime/images/rdkit/2-methyleneglutarate(aq).gif create mode 100644 maxime/images/rdkit/2-methylfumarate(aq).gif create mode 100644 maxime/images/rdkit/2-methylmaleate(aq).gif create mode 100644 maxime/images/rdkit/2-mono-octanoyl glycerol(sln).gif create mode 100644 maxime/images/rdkit/2-octanone(sln).gif create mode 100644 maxime/images/rdkit/2-oxoadipate(aq).gif create mode 100644 maxime/images/rdkit/2-pentanone(sln).gif create mode 100644 maxime/images/rdkit/2-phenyl-1-cyclohexanone(sln).gif create mode 100644 maxime/images/rdkit/2-phospho-D-glycerate(aq).gif create mode 100644 maxime/images/rdkit/2-propanol(aq).gif create mode 100644 maxime/images/rdkit/2-thienylacetic acid(aq).gif create mode 100644 maxime/images/rdkit/3'-dephospho-CoA(aq).gif create mode 100644 maxime/images/rdkit/3-dehydroquinate(aq).gif create mode 100644 maxime/images/rdkit/3-dehydroshikimate(aq).gif create mode 100644 maxime/images/rdkit/3-hydroxy-4-methylbenzoic acid(aq).gif create mode 100644 maxime/images/rdkit/3-hydroxypropanoate(aq).gif create mode 100644 maxime/images/rdkit/3-methylbenzoic acid(aq).gif create mode 100644 maxime/images/rdkit/3-oxopropanoate(aq).gif create mode 100644 maxime/images/rdkit/3-phospho-D-glycerate(aq).gif create mode 100644 maxime/images/rdkit/3-phosphohydroxypyruvate(aq).gif create mode 100644 maxime/images/rdkit/3-phosphonooxypyruvate(aq).gif create mode 100644 maxime/images/rdkit/3-phosphonopyruvate(aq).gif create mode 100644 maxime/images/rdkit/4'-methoxyacetanilide(aq).gif create mode 100644 maxime/images/rdkit/4'-methylacetanilide(aq).gif create mode 100644 maxime/images/rdkit/4'-nitroacetanilide(aq).gif create mode 100644 maxime/images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif create mode 100644 maxime/images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif create mode 100644 maxime/images/rdkit/4-androstene-3,17-dione(aq).gif create mode 100644 maxime/images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif create mode 100644 maxime/images/rdkit/4-hydroxybutanoate(aq).gif create mode 100644 maxime/images/rdkit/4-methyl-2-oxopentanoate(aq).gif create mode 100644 maxime/images/rdkit/4-methylbenzoic acid(aq).gif create mode 100644 maxime/images/rdkit/4-oxobutanoate(aq).gif create mode 100644 maxime/images/rdkit/5,10-methenyltetrahydrofolate(aq).gif create mode 100644 maxime/images/rdkit/5,10-methylenetetrahydrofolate(aq).gif create mode 100644 maxime/images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif create mode 100644 maxime/images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif create mode 100644 maxime/images/rdkit/5-dehydroquinate(aq).gif create mode 100644 maxime/images/rdkit/5-methyluridine(aq).gif create mode 100644 maxime/images/rdkit/5-oxo-D-proline(aq).gif create mode 100644 maxime/images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif create mode 100644 maxime/images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/6-amino-D-glucose(aq).gif create mode 100644 maxime/images/rdkit/6-aminopenicillanic acid(aq).gif create mode 100644 maxime/images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif create mode 100644 maxime/images/rdkit/7,8-dihydrofolate(aq).gif create mode 100644 maxime/images/rdkit/7-aminocephalosporanic acid(aq).gif create mode 100644 maxime/images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif create mode 100644 maxime/images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif create mode 100644 maxime/images/rdkit/ADPribose(aq).gif create mode 100644 maxime/images/rdkit/AMP(aq).gif create mode 100644 maxime/images/rdkit/AMP.gif create mode 100644 maxime/images/rdkit/CoA-glutathione(aq).gif create mode 100644 maxime/images/rdkit/D-altrose(aq).gif create mode 100644 maxime/images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-arabinose 5-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-arabinose(aq).gif create mode 100644 maxime/images/rdkit/D-erythrose(aq).gif create mode 100644 maxime/images/rdkit/D-erythrulose(aq).gif create mode 100644 maxime/images/rdkit/D-fructose 1,6-bisphosphate(aq).gif create mode 100644 maxime/images/rdkit/D-fructose 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-fructose(aq).gif create mode 100644 maxime/images/rdkit/D-fructuronate(aq).gif create mode 100644 maxime/images/rdkit/D-galactose 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-galacturonate(aq).gif create mode 100644 maxime/images/rdkit/D-gluconate(aq).gif create mode 100644 maxime/images/rdkit/D-glucosamine 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-glucosamine 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-glucose 1,6-diphosphate(aq).gif create mode 100644 maxime/images/rdkit/D-glucose(sln).gif create mode 100644 maxime/images/rdkit/D-glucuronate(aq).gif create mode 100644 maxime/images/rdkit/D-glycero-D-glucoheptitol(aq).gif create mode 100644 maxime/images/rdkit/D-lyxose(aq).gif create mode 100644 maxime/images/rdkit/D-mannitol 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-mannitol(aq).gif create mode 100644 maxime/images/rdkit/D-mannose 6-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-mannose(aq).gif create mode 100644 maxime/images/rdkit/D-ornithine(aq).gif create mode 100644 maxime/images/rdkit/D-psicose(aq).gif create mode 100644 maxime/images/rdkit/D-rhamnose(aq).gif create mode 100644 maxime/images/rdkit/D-rhamnulose(aq).gif create mode 100644 maxime/images/rdkit/D-ribose 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/D-ribose(aq).gif create mode 100644 maxime/images/rdkit/D-ribulose(aq).gif create mode 100644 maxime/images/rdkit/D-sedoheptulose(aq).gif create mode 100644 maxime/images/rdkit/D-sorbitol(aq).gif create mode 100644 maxime/images/rdkit/D-tagatose(aq).gif create mode 100644 maxime/images/rdkit/D-tagaturonate(aq).gif create mode 100644 maxime/images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif create mode 100644 maxime/images/rdkit/D-threose(aq).gif create mode 100644 maxime/images/rdkit/D-turanose(aq).gif create mode 100644 maxime/images/rdkit/D-xylose(aq).gif create mode 100644 maxime/images/rdkit/D-xylulose(aq).gif create mode 100644 maxime/images/rdkit/H2(aq).gif create mode 100644 maxime/images/rdkit/H2O.gif create mode 100644 maxime/images/rdkit/IDP(aq).gif create mode 100644 maxime/images/rdkit/L-2-aminoadipate(aq).gif create mode 100644 maxime/images/rdkit/L-5-carboxymethylhydantoin(aq).gif create mode 100644 maxime/images/rdkit/L-O-phosphoserine(aq).gif create mode 100644 maxime/images/rdkit/L-acetylcarnitine(aq).gif create mode 100644 maxime/images/rdkit/L-alanine(aq).gif create mode 100644 maxime/images/rdkit/L-arabinose(aq).gif create mode 100644 maxime/images/rdkit/L-arginine(aq).gif create mode 100644 maxime/images/rdkit/L-asparagine(aq).gif create mode 100644 maxime/images/rdkit/L-aspartate 4-semialdehyde(aq).gif create mode 100644 maxime/images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif create mode 100644 maxime/images/rdkit/L-erythrulose(aq).gif create mode 100644 maxime/images/rdkit/L-fructose(aq).gif create mode 100644 maxime/images/rdkit/L-fucose(aq).gif create mode 100644 maxime/images/rdkit/L-fuculose 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/L-fuculose(aq).gif create mode 100644 maxime/images/rdkit/L-histidine(aq).gif create mode 100644 maxime/images/rdkit/L-homocysteine(aq).gif create mode 100644 maxime/images/rdkit/L-homoserine(aq).gif create mode 100644 maxime/images/rdkit/L-iditol(aq).gif create mode 100644 maxime/images/rdkit/L-lactaldehyde(aq).gif create mode 100644 maxime/images/rdkit/L-leucine(aq).gif create mode 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maxime/images/rdkit/betaine(aq).gif create mode 100644 maxime/images/rdkit/butanal(aq).gif create mode 100644 maxime/images/rdkit/butyryl-CoA(aq).gif create mode 100644 maxime/images/rdkit/carbamate(aq).gif create mode 100644 maxime/images/rdkit/cellobiose(aq).gif create mode 100644 maxime/images/rdkit/cellotriose(aq).gif create mode 100644 maxime/images/rdkit/cephalothin(aq).gif create mode 100644 maxime/images/rdkit/choline(aq).gif create mode 100644 maxime/images/rdkit/cis-3-hexenal(aq).gif create mode 100644 maxime/images/rdkit/cis-3-hexene-1-ol(aq).gif create mode 100644 maxime/images/rdkit/cis-aconitate(aq).gif create mode 100644 maxime/images/rdkit/cis-but-2-enoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/cis-cis-hexadienedioate(aq).gif create mode 100644 maxime/images/rdkit/cis-hex-2-enoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/cycloheptaamylose(aq).gif create mode 100644 maxime/images/rdkit/cyclohexaamylose(aq).gif create mode 100644 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maxime/images/rdkit/dimethylpropiothetin(aq).gif create mode 100644 maxime/images/rdkit/diphosphate(aq).gif create mode 100644 maxime/images/rdkit/diphosphate.gif create mode 100644 maxime/images/rdkit/dodecyl dodecanoate(sln).gif create mode 100644 maxime/images/rdkit/enol-oxaloacetate(aq).gif create mode 100644 maxime/images/rdkit/enol-phenylpyruvate(aq).gif create mode 100644 maxime/images/rdkit/erythrulose 1-phosphate(aq).gif create mode 100644 maxime/images/rdkit/estrone(aq).gif create mode 100644 maxime/images/rdkit/ethanol(aq).gif create mode 100644 maxime/images/rdkit/ethyl 4-acetamidobenzoate(aq).gif create mode 100644 maxime/images/rdkit/ethyl 4-aminobenzoate(aq).gif create mode 100644 maxime/images/rdkit/folate(aq).gif create mode 100644 maxime/images/rdkit/formyl phosphate(aq).gif create mode 100644 maxime/images/rdkit/formyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/galactitol(aq).gif create mode 100644 maxime/images/rdkit/gamma-fluoroglutamate(aq).gif create mode 100644 maxime/images/rdkit/glycerol(aq).gif create mode 100644 maxime/images/rdkit/glycerone phosphate (aq).gif create mode 100644 maxime/images/rdkit/glycerone phosphate(aq).gif create mode 100644 maxime/images/rdkit/glycine(ag).gif create mode 100644 maxime/images/rdkit/glycolate(aq).gif create mode 100644 maxime/images/rdkit/glycolate.gif create mode 100644 maxime/images/rdkit/glyoxylate(aq).gif create mode 100644 maxime/images/rdkit/guanine(aq).gif create mode 100644 maxime/images/rdkit/guanosine(aq).gif create mode 100644 maxime/images/rdkit/hydroxylamine(aq).gif create mode 100644 maxime/images/rdkit/hydroxypyruvate(aq).gif create mode 100644 maxime/images/rdkit/hypoxanthine(aq).gif create mode 100644 maxime/images/rdkit/indole(aq).gif create mode 100644 maxime/images/rdkit/inosine(aq).gif create mode 100644 maxime/images/rdkit/isopentenyl diphosphate(aq).gif create mode 100644 maxime/images/rdkit/keto-oxaloacetate(aq).gif create mode 100644 maxime/images/rdkit/keto-phenylpyruvate(aq).gif create mode 100644 maxime/images/rdkit/lactulose(aq).gif create mode 100644 maxime/images/rdkit/laminaribiose(aq).gif create mode 100644 maxime/images/rdkit/lipoamide(aq).gif create mode 100644 maxime/images/rdkit/lombricine(aq).gif create mode 100644 maxime/images/rdkit/maleate(aq).gif create mode 100644 maxime/images/rdkit/methylitaconate(aq).gif create mode 100644 maxime/images/rdkit/myo-inositol(aq).gif create mode 100644 maxime/images/rdkit/myo-inositol.gif create mode 100644 maxime/images/rdkit/nicotinamide riboside(aq).gif create mode 100644 maxime/images/rdkit/nicotinamide(aq).gif create mode 100644 maxime/images/rdkit/nonanal.gif create mode 100644 maxime/images/rdkit/octanal(aq).gif create mode 100644 maxime/images/rdkit/oleic acid(sln).gif create mode 100644 maxime/images/rdkit/orotate(aq).gif create mode 100644 maxime/images/rdkit/p-toluidine(aq).gif create mode 100644 maxime/images/rdkit/pantoic acid.gif create mode 100644 maxime/images/rdkit/pantothenate.gif create mode 100644 maxime/images/rdkit/penicillin G(aq).gif create mode 100644 maxime/images/rdkit/phenol(aq).gif create mode 100644 maxime/images/rdkit/phenoxyacetate(aq).gif create mode 100644 maxime/images/rdkit/phenyl phosphate(aq).gif create mode 100644 maxime/images/rdkit/phenylacetic acid(aq).gif create mode 100644 maxime/images/rdkit/phenylacetylglycine(aq).gif create mode 100644 maxime/images/rdkit/phosphate(aq).gif create mode 100644 maxime/images/rdkit/phosphorylcholine(aq).gif create mode 100644 maxime/images/rdkit/phosphotaurocyamine(aq).gif create mode 100644 maxime/images/rdkit/propanal(aq).gif create mode 100644 maxime/images/rdkit/propanoate(aq).gif create mode 100644 maxime/images/rdkit/propionaldehyde(aq).gif create mode 100644 maxime/images/rdkit/propionyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/pyrophosphate(aq).gif create mode 100644 maxime/images/rdkit/pyruvate-(aq).gif create mode 100644 maxime/images/rdkit/quinate(aq).gif create mode 100644 maxime/images/rdkit/raffinose(aq).gif create mode 100644 maxime/images/rdkit/ribitol(aq).gif create mode 100644 maxime/images/rdkit/shikimate(aq).gif create mode 100644 maxime/images/rdkit/sinapate(aq).gif create mode 100644 maxime/images/rdkit/sn-glycerol 3-phosphate(aq).gif create mode 100644 maxime/images/rdkit/sn-glycerol 3-phosphate.gif create mode 100644 maxime/images/rdkit/stachyose(aq).gif create mode 100644 maxime/images/rdkit/taurocyamine(aq).gif create mode 100644 maxime/images/rdkit/tetrahydroxypteridine(aq).gif create mode 100644 maxime/images/rdkit/thymidine(aq).gif create mode 100644 maxime/images/rdkit/thymine(aq).gif create mode 100644 maxime/images/rdkit/trans-2-hexen-1-ol.gif create mode 100644 maxime/images/rdkit/trans-2-hexenal.gif create mode 100644 maxime/images/rdkit/trans-but-2-enoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/trans-but-2-enoyl-coenzyme A.gif create mode 100644 maxime/images/rdkit/trans-hex-2-enoyl-CoA(aq).gif create mode 100644 maxime/images/rdkit/uracil(aq).gif create mode 100644 maxime/images/rdkit/urea(aq).gif create mode 100644 maxime/images/rdkit/uridine(aq).gif create mode 100644 maxime/images/rdkit/urocanate(aq).gif create mode 100644 maxime/images/rdkit/vitamin A alcohol(aq).gif create mode 100644 maxime/images/rdkit/vitamin A aldehyde(aq).gif create mode 100644 maxime/images/rdkit/xanthine(aq).gif create mode 100644 maxime/images/rdkit/xanthine-8-carboxylate(aq).gif create mode 100644 maxime/images/rdkit/xanthosine(aq).gif create mode 100644 maxime/images/rdkit/xylitol(aq).gif create mode 100644 "maxime/images/rdkit/\316\261,\316\261,\316\261-trifluoro-m-toluidine(aq).gif" create mode 100644 maxime/kegg_dict.pkl diff --git a/maxime/.gitignore b/maxime/.gitignore new file mode 100644 index 0000000..765979d --- /dev/null +++ b/maxime/.gitignore @@ -0,0 +1,3 @@ +openTECR recuration.ods +TECRDB.csv +images/kegg/* diff --git a/maxime/Make_final_csv.ipynb b/maxime/Make_final_csv.ipynb new file mode 100644 index 0000000..79ae611 --- /dev/null +++ b/maxime/Make_final_csv.ipynb @@ -0,0 +1,627 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 10, + "id": "159b9679", + "metadata": {}, + "outputs": [], + "source": [ + "import pandas" + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "id": "5db8f98f", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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namekeggsynonyms
0benzyl alcohol(aq)kegg:C00556[]
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...
2benzaldehyde(aq)kegg:C00261[]
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']
41-butanol(aq)kegg:C06142[]
............
1047D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...
1048Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']
1049D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...
1050D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...
1051,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...
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1052 rows × 3 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \n", + "0 benzyl alcohol(aq) kegg:C00556 \\\n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "1047 D-Ribulose 5-phosphate kegg:C00199 \n", + "1048 Formaldehyde kegg:C00067 \n", + "1049 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "1050 D-Fructose 6-phosphate kegg:C00085 \n", + "1051 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "1047 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "1048 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "1049 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "1050 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "1051 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + "[1052 rows x 3 columns]" + ] + }, + "execution_count": 11, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "df = pandas.read_csv('compounds.csv') # generated by TECR-Hackathon-Cactus\n", + "df" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "4dbbe272", + "metadata": {}, + "outputs": [], + "source": [ + "import pickle" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "id": "7a0c0dd3", + "metadata": {}, + "outputs": [], + "source": [ + "with open('cactus_dict.pkl', 'rb') as f: # generated by TECR-Hackathon-Cactus\n", + " cac = pickle.load(f)" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "id": "b86e09b8", + "metadata": {}, + "outputs": [], + "source": [ + "inchikeys = {}\n", + "smiles = {}\n", + "for compound, row in df.iterrows():\n", + " cname = row['name']\n", + " inchikeys[compound] = None\n", + " smiles[compound] = None\n", + " if cname in cac and 'stdinchikey' in cac[cname]:\n", + " inchikeys[compound] = cac[cname]['stdinchikey']\n", + " if cname in cac and 'smiles' in cac[cname]:\n", + " smiles[compound] = cac[cname]['smiles']" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "id": "135b8fb0", + "metadata": {}, + "outputs": [], + "source": [ + "df['inchikey'] = inchikeys\n", + "df['smiles'] = smiles" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "id": "ed9e5aaa", + "metadata": {}, + "outputs": [], + "source": [ + "with open('kegg_dict.pkl', 'rb') as f: # generated by TECR-Hackathon-KEGG-CHEBI\n", + " kegg = pickle.load(f)" + ] + }, + { + "cell_type": "code", + "execution_count": 48, + "id": "e174684e", + "metadata": {}, + "outputs": [], + "source": [ + "pubchems = {}\n", + "chebis = {}\n", + "for compound, row in df.iterrows():\n", + " cname = row['name']\n", + " pubchems[compound] = None\n", + " chebis[compound] = None\n", + " if cname in kegg and 'pubchem' in kegg[cname]:\n", + " pubchems[compound] = kegg[cname]['pubchem'].strip()\n", + " if cname in kegg and 'chebi' in kegg[cname]:\n", + " chebis[compound] = kegg[cname]['chebi'][:kegg[cname]['chebi'].index('\\n')]" + ] + }, + { + "cell_type": "code", + "execution_count": 49, + "id": "ab840f93", + "metadata": {}, + "outputs": [], + "source": [ + "df['chebis'] = chebis\n", + "df['pubchems'] = pubchems" + ] + }, + { + "cell_type": "code", + "execution_count": 55, + "id": "74b38a39", + "metadata": {}, + "outputs": [], + "source": [ + "import glob" + ] + }, + { + "cell_type": "code", + "execution_count": 60, + "id": "428599a5", + "metadata": {}, + "outputs": [], + "source": [ + "rdkit_d = {}\n", + "for fx in glob.glob('images/rdkit/*'):\n", + " rdkit_d[fx.split('/')[-1].split('.')[0]] = fx\n", + "kegg_d = {}\n", + "for fx in glob.glob('images/kegg/*'):\n", + " kegg_d['kegg:'+fx.split('/')[-1].split('.')[0].split()[-1]] = fx" + ] + }, + { + "cell_type": "raw", + "id": "98710fda", + "metadata": {}, + "source": [ + "original idea: store kegg images in local\n", + "problem: copyright\n", + "\n", + "kegg_local_to_distant:\n", + "\n", + "images/kegg/{x} -->\n", + "https://rest.kegg.jp/get/{x}/image" + ] + }, + { + "cell_type": "code", + "execution_count": 71, + "id": "5592a9d1", + "metadata": {}, + "outputs": [], + "source": [ + "rdkit_img = {}\n", + "kegg_img = {}\n", + "for compound, row in df.iterrows():\n", + " cname = row['name']\n", + " rdkit_img[compound] = None\n", + " kegg_img[compound] = None\n", + " if cname in rdkit_d:\n", + " rdkit_img[compound] = rdkit_d[cname]\n", + " if not pandas.isna(row['kegg']):\n", + " ckegg = row['kegg'].split()[-1] # should remove stoichiometry\n", + " if ckegg in kegg_d:\n", + " kegg_img[compound] = f'https://rest.kegg.jp/get/{ckegg}/image'" + ] + }, + { + "cell_type": "code", + "execution_count": 72, + "id": "f58821f7", + "metadata": {}, + "outputs": [], + "source": [ + "df['rdkit_img'] = rdkit_img\n", + "df['kegg_img'] = kegg_img" + ] + }, + { + "cell_type": "code", + "execution_count": 73, + "id": "8b36bea4", + "metadata": {}, + 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namekeggsynonymsinchikeysmileschebispubchemsrdkit_imgkegg_img
0benzyl alcohol(aq)kegg:C00556[]InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-NOCc1ccccc1chebi:17987pubchem:3836images/rdkit/benzyl alcohol(aq).gifhttps://rest.kegg.jp/get/kegg:C00556/image
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-ONC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...chebi:15846pubchem:3305images/rdkit/NAD(aq).gifhttps://rest.kegg.jp/get/kegg:C00003/image
2benzaldehyde(aq)kegg:C00261[]InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-NO=Cc1ccccc1chebi:17169pubchem:3559images/rdkit/benzaldehyde(aq).gifhttps://rest.kegg.jp/get/kegg:C00261/image
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-NNC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...chebi:16908pubchem:3306images/rdkit/NADH(aq).gifhttps://rest.kegg.jp/get/kegg:C00004/image
41-butanol(aq)kegg:C06142[]InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-NCCCCOchebi:28885pubchem:8398images/rdkit/1-butanol(aq).gifhttps://rest.kegg.jp/get/kegg:C06142/image
..............................
1047D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...NoneNonechebi:17363pubchem:3499Nonehttps://rest.kegg.jp/get/kegg:C00199/image
1048Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']NoneNonechebi:16842pubchem:3367Nonehttps://rest.kegg.jp/get/kegg:C00067/image
1049D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...NoneNonechebi:27973pubchem:8291Nonehttps://rest.kegg.jp/get/kegg:C06019/image
1050D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...NoneNonechebi:15946pubchem:3385Nonehttps://rest.kegg.jp/get/kegg:C00085/image
1051,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...NoneNonechebi:18283pubchem:3958Nonehttps://rest.kegg.jp/get/kegg:C00689/image
\n", + "

1052 rows × 9 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \n", + "0 benzyl alcohol(aq) kegg:C00556 \\\n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "1047 D-Ribulose 5-phosphate kegg:C00199 \n", + "1048 Formaldehyde kegg:C00067 \n", + "1049 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "1050 D-Fructose 6-phosphate kegg:C00085 \n", + "1051 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \\\n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "1047 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "1048 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "1049 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "1050 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "1051 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + " inchikey \n", + "0 InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N \\\n", + "1 InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O \n", + "2 InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N \n", + "3 InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N \n", + "4 InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N \n", + "... ... \n", + "1047 None \n", + "1048 None \n", + "1049 None \n", + "1050 None \n", + "1051 None \n", + "\n", + " smiles chebis \n", + "0 OCc1ccccc1 chebi:17987 \\\n", + "1 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O... chebi:15846 \n", + "2 O=Cc1ccccc1 chebi:17169 \n", + "3 NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)... chebi:16908 \n", + "4 CCCCO chebi:28885 \n", + "... ... ... \n", + "1047 None chebi:17363 \n", + "1048 None chebi:16842 \n", + "1049 None chebi:27973 \n", + "1050 None chebi:15946 \n", + "1051 None chebi:18283 \n", + "\n", + " pubchems rdkit_img \n", + "0 pubchem:3836 images/rdkit/benzyl alcohol(aq).gif \\\n", + "1 pubchem:3305 images/rdkit/NAD(aq).gif \n", + "2 pubchem:3559 images/rdkit/benzaldehyde(aq).gif \n", + "3 pubchem:3306 images/rdkit/NADH(aq).gif \n", + "4 pubchem:8398 images/rdkit/1-butanol(aq).gif \n", + "... ... ... \n", + "1047 pubchem:3499 None \n", + "1048 pubchem:3367 None \n", + "1049 pubchem:8291 None \n", + "1050 pubchem:3385 None \n", + "1051 pubchem:3958 None \n", + "\n", + " kegg_img \n", + "0 https://rest.kegg.jp/get/kegg:C00556/image \n", + "1 https://rest.kegg.jp/get/kegg:C00003/image \n", + "2 https://rest.kegg.jp/get/kegg:C00261/image \n", + "3 https://rest.kegg.jp/get/kegg:C00004/image \n", + "4 https://rest.kegg.jp/get/kegg:C06142/image \n", + "... ... \n", + "1047 https://rest.kegg.jp/get/kegg:C00199/image \n", + "1048 https://rest.kegg.jp/get/kegg:C00067/image \n", + "1049 https://rest.kegg.jp/get/kegg:C06019/image \n", + "1050 https://rest.kegg.jp/get/kegg:C00085/image \n", + "1051 https://rest.kegg.jp/get/kegg:C00689/image \n", + "\n", + "[1052 rows x 9 columns]" + ] + }, + "execution_count": 73, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "df" + ] + }, + { + "cell_type": "code", + "execution_count": 74, + "id": "652774c0", + "metadata": {}, + "outputs": [], + "source": [ + "df.to_csv('final_compound_csv.csv', index=None)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "ed2d73ea", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.13" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/maxime/TECR-Hackathon-Cactus.ipynb b/maxime/TECR-Hackathon-Cactus.ipynb new file mode 100644 index 0000000..328198d --- /dev/null +++ b/maxime/TECR-Hackathon-Cactus.ipynb @@ -0,0 +1,11591 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "id": "a7ae9be5", + "metadata": {}, + "outputs": [], + "source": [ + "import pandas" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "05e3b4c5", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Requirement already satisfied: odfpy in /home/maxime/anaconda3/lib/python3.9/site-packages (1.4.1)\r\n", + "Requirement already satisfied: defusedxml in /home/maxime/anaconda3/lib/python3.9/site-packages (from odfpy) (0.7.1)\r\n" + ] + } + ], + "source": [ + "!pip install odfpy" + ] + }, + { + "cell_type": "markdown", + "id": "47e02499", + "metadata": {}, + "source": [ + "### Cross linking Robert and Elad's files" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "aaa20859", + "metadata": {}, + "outputs": [], + "source": [ + "dfelad = pandas.read_csv('TECRDB.csv')" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "b3dfbddd", + "metadata": {}, + 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idurlreferencemethodevalECenzyme_namereactiondescriptionKK_primetemperatureionic_strengthp_hp_mg
0https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...07LIN/ALGspectrophotometryA1.1.1.87homoisocitrate dehydrogenasekegg:C05662 + kegg:C00003 = kegg:C00322 + kegg...(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(a...NaN0.450298.15NaN7.5NaN
1https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...63GREspectrophotometryC3.5.4.9methenyltetrahydrofolate cyclohydrolasekegg:C00445 + kegg:C00001 = kegg:C002345,10-methenyltetrahydrofolate(aq) + H2O(l) = 1...NaN4.200298.15NaN6.5NaN
2https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN18.000310.15NaN7.32.96
3https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN25.000310.15NaN7.32.80
4https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN33.000310.15NaN7.32.30
................................................
4539https://w3id.org/related-to/doi.org/10.5281/ze...NaN+92MEYNaNE4.1.1.21phosphoribosylaminoimidazole carboxylasekegg:C03373 + kegg:C00288 = kegg:C04751 + kegg...Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D...NaN1.800310.15NaN7.8NaN
4540https://w3id.org/related-to/doi.org/10.5281/ze...NaN+00WALNaNE2.1.2.3phosphoribosylaminoimidazolecarboxamide formyl...kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg...10-Formyltetrahydrofolate + 1-(5'-Phosphoribos...NaN0.024298.15NaN7.5NaN
4541https://w3id.org/related-to/doi.org/10.5281/ze...NaN+59BLANaNE4.3.-.-formaldehyde condensation with THFkegg:C00101 + kegg:C00067 = kegg:C00143THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)NaN7700.000293.15NaN7.2NaN
4542https://w3id.org/related-to/doi.org/10.5281/ze...NaN+74FERNaNE4.1.2.433-Hexulose-6-Phosphate synthasekegg:C00199 + kegg:C00067 = kegg:C06019D-Ribulose 5-phosphate + Formaldehyde = D-arab...NaN25000.000303.15NaN7.0NaN
4543https://w3id.org/related-to/doi.org/10.5281/ze...NaN+74FERNaNE5.3.1.273-Hexulose-6-Phosphate Isomerasekegg:C06019 = kegg:C00085D-arabino-Hex-3-ulose 6-phosphate = D-Fructose...NaN188.000303.15NaN7.0NaN
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idECreference_codereactionKtemperatureionic_strengthp_hp_mgK_prime...wrong_valueph_not_present_in_pdfmissing_value_to_be_addedkprime_addedmisannotated_value_typetodo_check_in_primary_literaturevalue_given_with_approximate_signvirtual_entrytypo_in_pdf_corrected_in_situadditional data
0https://w3id.org/related-to/doi.org/10.5281/ze...1.1.1.180COO/BLAbenzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...NaN298.15NaN7.5NaN0.00098...NaNNaNNaNNaNNaNNaNNaNNaNNaNNaN
1https://w3id.org/related-to/doi.org/10.5281/ze...1.1.1.180COO/BLAbenzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...NaN298.15NaN8.0NaN0.00310...NaNNaNNaNNaNNaNNaNNaNNaNNaNNaN
2https://w3id.org/related-to/doi.org/10.5281/ze...1.1.1.180COO/BLAbenzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...NaN298.15NaN8.5NaN0.00980...NaNNaNNaNNaNNaNNaNNaNNaNNaNNaN
3https://w3id.org/related-to/doi.org/10.5281/ze...1.1.1.180COO/BLAbenzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...NaN298.15NaN9.0NaN0.03100...NaNNaNNaNNaNNaNNaNNaNNaNNaNNaN
4https://w3id.org/related-to/doi.org/10.5281/ze...1.1.1.180COO/BLAbenzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...NaN298.15NaN9.5NaN0.09800...NaNNaNNaNNaNNaNNaNNaNNaNNaNNaN
..................................................................
5740https://w3id.org/related-to/doi.org/10.5281/ze...4.3.-.-+59BLATHF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)NaN293.15NaN7.2NaN7700.00000...NaNNaNNaNNaNNaNNaNNaNNaNNaN[added by Elad]
5741https://w3id.org/related-to/doi.org/10.5281/ze...4.1.2.43+74FERD-Ribulose 5-phosphate + Formaldehyde = D-arab...NaN303.15NaN7.0NaN25000.00000...NaNNaNNaNNaNNaNNaNNaNNaNNaN[added by Elad]
5742https://w3id.org/related-to/doi.org/10.5281/ze...5.3.1.27+74FERD-arabino-Hex-3-ulose 6-phosphate = D-Fructose...NaN303.15NaN7.0NaN188.00000...NaNNaNNaNNaNNaNNaNNaNNaNNaN[added by Elad]
5743https://w3id.org/related-to/doi.org/10.5281/ze...2.4.1.21601AND/LEV,-trehalose 6-phosphate(aq) + orthophosphate(a...NaN308.15NaN7.0NaN0.03200...NaNNaNNaNNaNNaNNaNNaNNaNNaN[presumably should have been in part 7, becaus...
5744https://w3id.org/related-to/doi.org/10.5281/ze...2.4.1.21601AND/LEV,-trehalose 6-phosphate(aq) + orthophosphate(a...NaN308.15NaN6.3NaN0.02600...NaNNaNNaNNaNNaNNaNNaNNaNNaN[presumably should have been in part 7, becaus...
\n", + "

5745 rows × 30 columns

\n", + "
" + ], + "text/plain": [ + " id EC \n", + "0 https://w3id.org/related-to/doi.org/10.5281/ze... 1.1.1.1 \\\n", + "1 https://w3id.org/related-to/doi.org/10.5281/ze... 1.1.1.1 \n", + "2 https://w3id.org/related-to/doi.org/10.5281/ze... 1.1.1.1 \n", + "3 https://w3id.org/related-to/doi.org/10.5281/ze... 1.1.1.1 \n", + "4 https://w3id.org/related-to/doi.org/10.5281/ze... 1.1.1.1 \n", + "... ... ... \n", + "5740 https://w3id.org/related-to/doi.org/10.5281/ze... 4.3.-.- \n", + "5741 https://w3id.org/related-to/doi.org/10.5281/ze... 4.1.2.43 \n", + "5742 https://w3id.org/related-to/doi.org/10.5281/ze... 5.3.1.27 \n", + "5743 https://w3id.org/related-to/doi.org/10.5281/ze... 2.4.1.216 \n", + "5744 https://w3id.org/related-to/doi.org/10.5281/ze... 2.4.1.216 \n", + "\n", + " reference_code reaction K \n", + "0 80COO/BLA benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... NaN \\\n", + "1 80COO/BLA benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... NaN \n", + "2 80COO/BLA benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... NaN \n", + "3 80COO/BLA benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... NaN \n", + "4 80COO/BLA benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... NaN \n", + "... ... ... .. \n", + "5740 +59BLA THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq) NaN \n", + "5741 +74FER D-Ribulose 5-phosphate + Formaldehyde = D-arab... NaN \n", + "5742 +74FER D-arabino-Hex-3-ulose 6-phosphate = D-Fructose... NaN \n", + "5743 01AND/LEV ,-trehalose 6-phosphate(aq) + orthophosphate(a... NaN \n", + "5744 01AND/LEV ,-trehalose 6-phosphate(aq) + orthophosphate(a... NaN \n", + "\n", + " temperature ionic_strength p_h p_mg K_prime ... wrong_value \n", + "0 298.15 NaN 7.5 NaN 0.00098 ... NaN \\\n", + "1 298.15 NaN 8.0 NaN 0.00310 ... NaN \n", + "2 298.15 NaN 8.5 NaN 0.00980 ... NaN \n", + "3 298.15 NaN 9.0 NaN 0.03100 ... NaN \n", + "4 298.15 NaN 9.5 NaN 0.09800 ... NaN \n", + "... ... ... ... ... ... ... ... \n", + "5740 293.15 NaN 7.2 NaN 7700.00000 ... NaN \n", + "5741 303.15 NaN 7.0 NaN 25000.00000 ... NaN \n", + "5742 303.15 NaN 7.0 NaN 188.00000 ... NaN \n", + "5743 308.15 NaN 7.0 NaN 0.03200 ... NaN \n", + "5744 308.15 NaN 6.3 NaN 0.02600 ... NaN \n", + "\n", + " ph_not_present_in_pdf missing_value_to_be_added kprime_added \n", + "0 NaN NaN NaN \\\n", + "1 NaN NaN NaN \n", + "2 NaN NaN NaN \n", + "3 NaN NaN NaN \n", + "4 NaN NaN NaN \n", + "... ... ... ... \n", + "5740 NaN NaN NaN \n", + "5741 NaN NaN NaN \n", + "5742 NaN NaN NaN \n", + "5743 NaN NaN NaN \n", + "5744 NaN NaN NaN \n", + "\n", + " misannotated_value_type todo_check_in_primary_literature \n", + "0 NaN NaN \\\n", + "1 NaN NaN \n", + "2 NaN NaN \n", + "3 NaN NaN \n", + "4 NaN NaN \n", + "... ... ... \n", + "5740 NaN NaN \n", + "5741 NaN NaN \n", + "5742 NaN NaN \n", + "5743 NaN NaN \n", + "5744 NaN NaN \n", + "\n", + " value_given_with_approximate_sign virtual_entry \n", + "0 NaN NaN \\\n", + "1 NaN NaN \n", + "2 NaN NaN \n", + "3 NaN NaN \n", + "4 NaN NaN \n", + "... ... ... \n", + "5740 NaN NaN \n", + "5741 NaN NaN \n", + "5742 NaN NaN \n", + "5743 NaN NaN \n", + "5744 NaN NaN \n", + "\n", + " typo_in_pdf_corrected_in_situ \n", + "0 NaN \\\n", + "1 NaN \n", + "2 NaN \n", + "3 NaN \n", + "4 NaN \n", + "... ... \n", + "5740 NaN \n", + "5741 NaN \n", + "5742 NaN \n", + "5743 NaN \n", + "5744 NaN \n", + "\n", + " additional data \n", + "0 NaN \n", + "1 NaN \n", + "2 NaN \n", + "3 NaN \n", + "4 NaN \n", + "... ... \n", + "5740 [added by Elad] \n", + "5741 [added by Elad] \n", + "5742 [added by Elad] \n", + "5743 [presumably should have been in part 7, becaus... \n", + "5744 [presumably should have been in part 7, becaus... \n", + "\n", + "[5745 rows x 30 columns]" + ] + }, + "execution_count": 6, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "dftecr" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "b37b03af", + "metadata": {}, + "outputs": [], + "source": [ + "dftful = dftecr.copy()" + ] + }, + { + "cell_type": "code", + "execution_count": 8, + "id": "9f261cb1", + "metadata": {}, + "outputs": [], + "source": [ + "def get_data(rxn, alt='reaction'):\n", + " if pandas.isna(rxn) or not rxn:\n", + " return numpy.NaN\n", + " nb = len(\"https://w3id.org/related-to/doi.org/10.5281/zenodo.3978439/files/TECRDB.csv#entry\")\n", + " idf = int(rxn[nb:])\n", + " return dfelad.loc[idf-1][alt] # rxn = 1-based; pandas = 0-based" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "2be7c3bc", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "id": "09f50671", + "metadata": {}, + "outputs": [], + "source": [ + "dftful['rname'] = dftful['id'].apply(lambda x: get_data(x, alt='description'))\n", + "dftful['keggrxn'] = dftful['id'].apply(lambda x: get_data(x, alt='reaction'))" + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "id": "be723851", + "metadata": {}, + "outputs": [], + "source": [ + "dftful['test'] = (dftful['rname'] == dftful['reaction'])" + ] + }, + { + "cell_type": "code", + "execution_count": 12, + "id": "69896edc", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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rnamereactiontest
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keggrxnreaction
0kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
1kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
2kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
3kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
4kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
.........
5740kegg:C00101 + kegg:C00067 = kegg:C00143THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)
5741kegg:C00199 + kegg:C00067 = kegg:C06019D-Ribulose 5-phosphate + Formaldehyde = D-arab...
5742kegg:C06019 = kegg:C00085D-arabino-Hex-3-ulose 6-phosphate = D-Fructose...
5743kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg...,-trehalose 6-phosphate(aq) + orthophosphate(a...
5744kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg...,-trehalose 6-phosphate(aq) + orthophosphate(a...
\n", + "

5745 rows × 2 columns

\n", + "
" + ], + "text/plain": [ + " keggrxn \n", + "0 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \\\n", + "1 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "2 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "3 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "4 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "... ... \n", + "5740 kegg:C00101 + kegg:C00067 = kegg:C00143 \n", + "5741 kegg:C00199 + kegg:C00067 = kegg:C06019 \n", + "5742 kegg:C06019 = kegg:C00085 \n", + "5743 kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg... \n", + "5744 kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg... \n", + "\n", + " reaction \n", + "0 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "1 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "2 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "3 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "4 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "... ... \n", + "5740 THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq) \n", + "5741 D-Ribulose 5-phosphate + Formaldehyde = D-arab... \n", + "5742 D-arabino-Hex-3-ulose 6-phosphate = D-Fructose... \n", + "5743 ,-trehalose 6-phosphate(aq) + orthophosphate(a... \n", + "5744 ,-trehalose 6-phosphate(aq) + orthophosphate(a... \n", + "\n", + "[5745 rows x 2 columns]" + ] + }, + "execution_count": 13, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "dftful[['keggrxn','reaction']]" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "id": "6df9e268", + "metadata": {}, + "outputs": [], + "source": [ + "rxn = list(map(tuple, dftful[['keggrxn','reaction']].values))" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "id": "b155091f", + "metadata": { + "scrolled": false + }, + "outputs": [], + "source": [ + "rxn = list(dict.fromkeys(rxn)) # preserve order" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "id": "6e876d13", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, nan),\n", + " (nan, 'glycolate + NAD = ...'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan, '2,4-dihydroxybutanoate(aq) + NAD(aq) = ...'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) '),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) '),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin + H2o = ampicillinoic acid'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan, 'phenoxymethylpenicillin'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan, '2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan, '2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) '),\n", + " (nan, 'ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) '),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) '),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)'),\n", + " (nan, 'butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) '),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) '),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) '),\n", + " (nan,\n", + " '1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) '),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) '),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) '),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) '),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) '),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) '),\n", + " (nan, 'N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) '),\n", + " (nan, 'N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) '),\n", + " (nan, 'N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) '),\n", + " (nan, 'N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) '),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 16, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "rxn" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "id": "484e711f", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy" + ] + }, + { + "cell_type": "code", + "execution_count": 18, + "id": "f2dd19b0", + "metadata": {}, + "outputs": [], + "source": [ + "import re" + ] + }, + { + "cell_type": "markdown", + "id": "3080dbb2", + "metadata": {}, + "source": [ + "### Reviewing the new stuff -- it's full of incoherent spacing around symbols and additional spaces" + ] + }, + { + "cell_type": "code", + "execution_count": 20, + "id": "5e406dc7", + "metadata": {}, + "outputs": [], + "source": [ + "dict_errors = {\n", + " 'H 20': 'H2O',\n", + " 'H20': 'H2O',\n", + " 'n -decanoic acid': 'n-decanoic acid',\n", + " ', ': ',',\n", + " 'L-glutamatea': 'L-glutamate(aq)',\n", + " 'methanol -': 'methanol-'\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "id": "cca8b0e1", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, nan),\n", + " (nan, 'glycolate + NAD = ...'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan, '2,4-dihydroxybutanoate(aq) + NAD(aq) = ...'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) '),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) '),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin + H2o = ampicillinoic acid'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan, 'phenoxymethylpenicillin'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan, '2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan, '2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) '),\n", + " (nan, 'ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) '),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) '),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)'),\n", + " (nan, 'butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) '),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) '),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) '),\n", + " (nan,\n", + " '1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) '),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) '),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) '),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) '),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) '),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) '),\n", + " (nan, 'N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) '),\n", + " (nan, 'N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) '),\n", + " (nan, 'N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) '),\n", + " (nan, 'N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) '),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 21, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "rxn" + ] + }, + { + "cell_type": "code", + "execution_count": 51, + "id": "7dae7b13", + "metadata": {}, + "outputs": [], + "source": [ + "known_errors = {\n", + " #equal_errors\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)':\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)',\n", + " 'phenoxymethylpenicillin': 'phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)',\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!':\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)',\n", + " \"butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)\":\n", + " \"butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)\",\n", + " \"2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)\":\n", + " \"2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(l)\",\n", + " \"n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)\":\n", + " \"n-octanoic acid glycerol monoester(sln) + H2O(sln) = n-octanoic acid(sln) + glycerol(sln)\",\n", + " \"glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\":\n", + " \"glycine(aq) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\",\n", + " \"Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq)\":\n", + " \"γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)\",\n", + " \"glycolate + NAD = ...\": \"glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)\",\n", + " \"2,4-dihydroxybutanoate(aq) + NAD(aq) = ...\": \"2,4-dihydroxybutanoate(aq) + NAD(aq) = 2-oxo-4-hydroxybutanoate(aq) + NADH(aq)\",\n", + " #other_errors \n", + " 'ampicillin + H2o = ampicillinoic acid': 'ampicillin(aq) + H2O(l) = ampicillinoic acid(aq)',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine': 'pantothenate(aq) + H2O(l) = pantoic acid(aq) + beta-alanine(aq)'\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 55, + "id": "5f40693c", + "metadata": { + "scrolled": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "New: glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)\n", + "Old: glycolate + NAD = ...\n", + "---\n", + "New: 2,4-dihydroxybutanoate(aq) + NAD(aq) = 2-oxo-4-hydroxybutanoate(aq) + NADH(aq)\n", + "Old: 2,4-dihydroxybutanoate(aq) + NAD(aq) = ...\n", + "---\n", + "New: (3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)\n", + "Old: (3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)\n", + "---\n", + "New: glycine(aq) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\n", + "Old: glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\n", + "---\n", + "New: 2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(l)\n", + "Old: 2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)\n", + "---\n", + "New: n-decanoic acid glycerol qiester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol monoester(sln)\n", + "Old: n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)\n", + "---\n", + "New: n-decanoic acid glycerol monoester(sln) + H2O(sln) = n-decanoic acid(sln) + glycerol(sln)\n", + "Old: n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) \n", + "---\n", + "New: n-decanoic acid glycerol triester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol diester(sln)\n", + "Old: n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)\n", + "---\n", + "New: n-octanoic acid glycerol diester(sln) + H2O(sln) = n-octanoic add(sln) + n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)\n", + "Old: n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)\n", + "---\n", + "New: n-octanoic acid glycerol monoester(sln) + H2O(sln) = n-octanoic acid(sln) + glycerol(sln)\n", + "Old: n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)\n", + "---\n", + "New: γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)\n", + "Old: Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) \n", + "---\n", + "New: ampicillin(aq) + H2O(l) = ampicillinoic acid(aq)\n", + "Old: ampicillin + H2o = ampicillinoic acid\n", + "---\n", + "New: phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)\n", + "Old: phenoxymethylpenicillin\n", + "---\n", + "New: 6-thioglucose 6-phosphate(aq) = 6-thioglucose I-phosphate(aq)\n", + "Old: 6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)\n", + "---\n", + "New: (S)-dihydroorotate(aq) + oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)\n", + "Old: (S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)\n", + "---\n", + "New: D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)\n", + "Old: D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!\n", + "---\n", + "New: 2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-butanone(sln) + 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)\n", + "Old: 2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclobutanone(sln) + 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)\n", + "Old: cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)\n", + "---\n", + "New: cycloheptanone(sln) + 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)\n", + "Old: cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclohexanone(sln) + 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)\n", + "Old: cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclooctanone(sln) + 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)\n", + "Old: cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclopentanone(sln) + 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)\n", + "Old: cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-heptanone(sln) + 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)\n", + "Old: 2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-hexanone(sln) + 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)\n", + "Old: 2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-octanone(sln) + 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)\n", + "Old: 2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-pentanone(sln) + 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)\n", + "Old: 2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-ethanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-heptanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-hexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-pentanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-propanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)\n", + "---\n", + "New: L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3,3-dimethyl-2-oxobutanoate(aq) + L-glutamate(aq)\n", + "Old: L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea\n", + "---\n", + "New: ATP(aq) + serpeptide(aq) = ADP(aq) + phosphorylated serpeptide(aq)\n", + "Old: ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) \n", + "---\n", + "New: ATP(aq) + syntide 2(aq) = ADP(aq) + phosphosyntide(aq)\n", + "Old: ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) \n", + "---\n", + "New: 3-hydroxyanthranilic acid(aq) + ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-hydroxybenzoic acid(aq) + ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 4-hydroxybenzoic acid(aq) + ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-hydroxy-4-methylbenzoic acid(aq) + ATP(aq) = 3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-methylbenzoic acid(aq) + ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 4-methylbenzoic acid(aq) + ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: deoxynucleoside triphosphate(aq) + polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq)\n", + "Old: deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) \n", + "---\n", + "New: benzyl alcohol(sln) + butyl acetate(sln) = benzyl acetate(sln) + 1-butanol(sln)\n", + "Old: benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)\n", + "---\n", + "New: butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)\n", + "Old: butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)\n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + H2O(sln) = 2-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,3-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: 1,3-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: dodecyl dodecanoate(sln) + H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln)\n", + "Old: dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) \n", + "---\n", + "New: D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) + H2O(sln)\n", + "Old: D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) \n", + "---\n", + "New: (-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) + H2O(sln)\n", + "Old: (-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) \n", + "---\n", + "New: 1-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 2-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) + H2O(sln)\n", + "Old: oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1,2-dioctanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = cis-2-hydroxycyclopentanemethanol-phosphate(aq)\n", + "Old: cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) \n", + "---\n", + "New: trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = trans-2-hydroxycyclopentanemethanol-phosphate(aq)\n", + "Old: trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) \n", + "---\n", + "New: 1R,2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) + H2O(l) = 1R,2S-trans-2-hydroxytetrahydrofuranmethanol-phosphate(aq)\n", + "Old: 1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) \n", + "---\n", + "New: 5-methoxytrimethylene phosphate(aq) + H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq)\n", + "Old: 5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) \n", + "---\n", + "New: 5-methyltrimethylene phosphate(aq) + H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq)\n", + "Old: 5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) \n", + "---\n", + "New: adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\n", + "Old: adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \n", + "---\n", + "New: 4-nitrophenyl acetate(aq) + H2O(l) = 4-nitrophenol(aq) + acetate(aq)\n", + "Old: 4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) \n", + "---\n", + "New: succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Leu(aq) + 4-nitrophenyl analide(aq)\n", + "Old: succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) \n", + "---\n", + "New: succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Phe(aq) + 4-nitrophenylanalide(aq)\n", + "Old: succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) \n", + "---\n", + "New: cefamandole(aq) + H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) + D-mandelic acid(aq)\n", + "Old: cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) \n", + "---\n", + "New: 2-acetamidohept-6-enoic acid(aq) + H2O(l) = acetate(aq) + 2-aminohept-6-enoic acid(aq)\n", + "Old: 2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) \n", + "---\n", + "New: N-acetyl-L-alanine(aq) + H2O(l) = acetate(aq) + L-alanine(aq)\n", + "Old: N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) \n", + "---\n", + "New: N-acetyl-L-cysteine(aq) + H2O(l) = acetate(aq) + L-cysteine(aq)\n", + "Old: N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) \n", + "---\n", + "New: N-acetyl-L-norleucine(aq) + H2O(l) = acetate(aq) + L-norleucine(aq)\n", + "Old: N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) \n", + "---\n", + "New: N-acetyl-L-valine(aq) + H2O(l) = acetate(aq) + L-valine(aq)\n", + "Old: N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) \n", + "---\n" + ] + } + ], + "source": [ + "newrxn = []\n", + "f = open('errors_actual_data_sheet_maxime.txt', 'w')\n", + "for r, t in rxn: \n", + " l = t\n", + " if pandas.isna(t) and pandas.isna(r): # for some reason there are (nan, nan) lines\n", + " continue\n", + " if pandas.isna(t):\n", + " newrxn.append((r, l))\n", + " continue\n", + " if not pandas.isna(r): # don't touch the data which is already in Elad's file\n", + " if \"H2O(1)\" not in t: # except for that one line with H2O(1) because it's bothering me\n", + " newrxn.append((r, l))\n", + " continue\n", + " # here, only those with a data that is not in elad's data\n", + " if t.strip() in known_errors:\n", + " l = known_errors[t.strip()] \n", + " # search displayed below\n", + " r2 = re.search(r' \\+(?<=\\+)[^{}\\s|]', t)\n", + " if r2 is None:\n", + " r2 = re.search(r' \\=(?<=\\=)[^{}\\s|]', t)\n", + " if r2 is None:\n", + " r2 = re.search(r'[^\\s](?=\\+)\\+', t)\n", + " if r2 is None:\n", + " r2 = re.search(r'[^\\s](?=\\=)\\=', t)\n", + " if r2 is not None:\n", + " if r2 != t:\n", + " l = l.replace(' _x0005_', '@+').strip()\n", + " for k, v in dict_errors.items():\n", + " l = l.replace(k, v)\n", + " l = re.sub(r'\\s+\\+\\s+', '@+', l)\n", + " l = re.sub(r'\\s+\\=\\s+', '@=', l)\n", + " l = re.sub(r'\\s+\\+', '@+', l)\n", + " l = re.sub(r'\\s+\\=', '@=', l)\n", + " l = re.sub(r'\\+\\s+', '@+', l)\n", + " l = re.sub(r'\\=\\s+', '@=', l)\n", + " l = l.replace('@+', ' + ')\n", + " l = l.replace('@=', ' = ')\n", + " if l != t:\n", + " print('New:', l), print('New:', l, file=f)\n", + " print('Old:', t), print('Old:', t, file=f)\n", + " print('---'), print('---', file=f)\n", + " newrxn.append((r, l))\n", + "f.close()" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "cb84f818", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2,4-dihydroxybutanoate(aq) + NAD(aq) = 2-oxo-4-hydroxybutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(l)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H2O(sln) = n-decanoic acid(sln) + glycerol(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H2O(sln) = n-octanoic add(sln) + n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol monoester(sln) + H2O(sln) = n-octanoic acid(sln) + glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin(aq) + H2O(l) = ampicillinoic\\xa0acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) = 6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq) + oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-butanone(sln) + 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln) + 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln) + 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln) + 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln) + 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln) + 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln) + 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-hexanone(sln) + 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln) + 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln) + 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3,3-dimethyl-2-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) = ADP(aq) + phosphorylated serpeptide(aq)'),\n", + " (nan, 'ATP(aq) + syntide 2(aq) = ADP(aq) + phosphosyntide(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) + ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) + ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) + ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) + ATP(aq) = 3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) + ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) + ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) + polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq)'),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln) + butyl acetate(sln) = benzyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " 'butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + H2O(sln) = 2-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) + H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln)'),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1,2-dioctanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = cis-2-hydroxycyclopentanemethanol-phosphate(aq)'),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = trans-2-hydroxycyclopentanemethanol-phosphate(aq)'),\n", + " (nan,\n", + " '1R,2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) + H2O(l) = 1R,2S-trans-2-hydroxytetrahydrofuranmethanol-phosphate(aq)'),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) + H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq)'),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) + H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq)'),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) + H2O(l) = 4-nitrophenol(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Leu(aq) + 4-nitrophenyl analide(aq)'),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Phe(aq) + 4-nitrophenylanalide(aq)'),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) + H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) + D-mandelic acid(aq)'),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) + H2O(l) = acetate(aq) + 2-aminohept-6-enoic acid(aq)'),\n", + " (nan, 'N-acetyl-L-alanine(aq) + H2O(l) = acetate(aq) + L-alanine(aq)'),\n", + " (nan, 'N-acetyl-L-cysteine(aq) + H2O(l) = acetate(aq) + L-cysteine(aq)'),\n", + " (nan, 'N-acetyl-L-norleucine(aq) + H2O(l) = acetate(aq) + L-norleucine(aq)'),\n", + " (nan, 'N-acetyl-L-valine(aq) + H2O(l) = acetate(aq) + L-valine(aq)'),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 24, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "newrxn # should be rewritten to the excel later" + ] + }, + { + "cell_type": "markdown", + "id": "97204050", + "metadata": {}, + "source": [ + "## Finally getting all compounds" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "79c1d883", + "metadata": {}, + "outputs": [], + "source": [ + "compounds = []\n", + "cpid = {}\n", + "for r, t in newrxn:\n", + " if pandas.isna(t) and pandas.isna(r):\n", + " assert(False)\n", + " if pandas.isna(t) and not pandas.isna(r):\n", + " assert(False)\n", + " # text reaction\n", + " reacprod = t.split(\"=\")\n", + " assert(len(reacprod) == 2)\n", + " reac, prod = reacprod[0].strip(), reacprod[1].strip()\n", + " reacs = reac.split(' + ')\n", + " prods = prod.split(' + ')\n", + " # kegg reaction\n", + " krxn = None\n", + " if not pandas.isna(r):\n", + " kegg = r.split(\"=\")\n", + " assert(len(kegg) == 2)\n", + " kreac, kprod = kegg[0].strip(), kegg[1].strip()\n", + " krxn = [kreac.split(' + '), kprod.split(' + ')]\n", + " for i, ls in enumerate([reacs, prods]):\n", + " for j, rxt in enumerate(ls):\n", + " spl = rxt.split()\n", + " # extract stoichiometry\n", + " try: \n", + " float(spl[0])\n", + " rxt = \" \".join(spl[1:])\n", + " except ValueError:\n", + " rxt = rxt\n", + " compounds.append(rxt)\n", + " if krxn is not None:\n", + " cpid[rxt] = krxn[i][j]" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "afab0cb0", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "['benzyl alcohol(aq)',\n", + " 'NAD(aq)',\n", + " 'benzaldehyde(aq)',\n", + " 'NADH(aq)',\n", + " '1-butanol(aq)',\n", + " 'NAD(aq)',\n", + " 'butanal(aq)',\n", + " 'NADH(aq)',\n", + " 'cyclohexanol(aq)',\n", + " 'NAD(aq)',\n", + " 'cyclohexanone(aq)',\n", + " 'NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'desamino NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'desamino NADH(aq)',\n", + " '1-hexanol',\n", + " 'NAD',\n", + " 'hexanal',\n", + " 'NADH',\n", + " 'cis-3-hexene-1-ol(aq)',\n", + " 'NAD(aq)',\n", + " 'cis-3-hexenal(aq)',\n", + " 'NADH(aq)',\n", + " 'trans-2-hexen-1-ol',\n", + " 'NAD',\n", + " 'trans-2-hexenal',\n", + " 'NADH',\n", + " '1-nonanol',\n", + " 'NAD',\n", + " 'nonanal',\n", + " 'NADH',\n", + " '1-octanol(aq)',\n", + " 'NAD(aq)',\n", + " 'octanal(aq)',\n", + " 'NADH(aq)',\n", + " '1-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'propanal(aq)',\n", + " 'NADH(aq)',\n", + " '2-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetone(aq)',\n", + " 'NADH(aq)',\n", + " '2-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetone(aq)',\n", + " 'NADH(aq)',\n", + " 'vitamin A alcohol(aq)',\n", + " 'NAD(aq)',\n", + " 'vitamin A aldehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'L-homoserine(aq)',\n", + " 'NAD(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'L-homoserine(aq)',\n", + " 'NADP(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(R,R)-2,3-butanediol(aq)',\n", + " 'NAD(aq)',\n", + " '(R)-acetoin(aq)',\n", + " 'NADH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone(aq)',\n", + " 'NADH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone(aq)',\n", + " 'NADH(aq)',\n", + " 'sn-glycerol 3-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'sn-glycerol 3-phosphate',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'allitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-psicose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glycero-D-glucoheptitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-sedoheptulose(aq)',\n", + " 'NADH(aq)',\n", + " 'L-iditol(aq)',\n", + " 'NAD(aq)',\n", + " 'L-sorbose(aq)',\n", + " 'NADH(aq)',\n", + " 'ribitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-ribulose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADH(aq)',\n", + " 'L-threitol(aq)',\n", + " 'NAD(aq)',\n", + " 'L-erythrulose(aq)',\n", + " 'NADH(aq)',\n", + " 'xylitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-xylulose(aq)',\n", + " 'NADH(aq)',\n", + " 'xylitol(aq)',\n", + " 'NADP(aq)',\n", + " 'L-xylulose(aq)',\n", + " 'NADPH(aq)',\n", + " 'galactitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-tagatose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-mannitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-mannitol 1-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'myo-inositol',\n", + " 'NAD',\n", + " '2-oxo-myo-inositol',\n", + " 'NADH',\n", + " 'xylitol(aq)',\n", + " 'NADP(aq)',\n", + " 'D-xylose(aq)',\n", + " 'NADPH(aq)',\n", + " 'quinate(aq)',\n", + " 'NAD(aq)',\n", + " '5-dehydroquinate(aq)',\n", + " 'NADH(aq)',\n", + " 'shikimate(aq)',\n", + " 'NADP(aq)',\n", + " '3-dehydroshikimate(aq)',\n", + " 'NADPH(aq)',\n", + " '(R)-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " 'hydroxypyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'glycolate(aq)',\n", + " 'NAD(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'NADH(aq)',\n", + " 'glycolate(aq)',\n", + " 'NAD(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'NADH(aq)',\n", + " '2-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " '2,4-dihydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxo-4-hydroxybutanoate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-lactate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'AP-NADH(aq)',\n", + " '(R)-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '(R)-3-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " '3-hydroxy-2-methylpropanoate(aq)',\n", + " 'NAD(aq)',\n", + " '2-methyl-3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxobutanoyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxohexanoyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'oxaloacetate(aq)',\n", + " 'NADH(aq)',\n", + " 'meso-tartrate(aq)',\n", + " 'NAD(aq)',\n", + " '(E)-dihydroxyfumarate(aq)',\n", + " 'NADH(aq)',\n", + " 'meso-tartrate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxo-3-hydroxysuccinate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-glutamate(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'L-aspartate(aq)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'citrate(aq)',\n", + " 'CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " 'isocitrate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " 'isocitrate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '6-phospho-D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'D-ribulose 5-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '-D-glucose(aq)',\n", + " 'NAD(aq)',\n", + " 'D-glucono-1,5-lactone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-galactose(aq)',\n", + " 'NAD(aq)',\n", + " 'D-galactono-1,4-lactone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucono-1,5-lactone 6-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '6-phospho-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " '5α-androstane-3α-ol-17-one(aq)',\n", + " 'NAD(aq)',\n", + " '5α-androstane-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-androstane-3α,17β-diol(aq)',\n", + " 'NAD(aq)',\n", + " '5α-androstane-17β-ol-3-one(aq)',\n", + " 'NADH(aq)',\n", + " '5α-androstane-3α-ol-17-one(aq)',\n", + " 'TNAD(aq)',\n", + " '5α-androstane-3,17-dione(aq)',\n", + " 'TNADH(aq)',\n", + " '5β-androstane-3α-ol-17-one(aq)',\n", + " 'NAD(aq)',\n", + " '5β-androstane-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'NAD(aq)',\n", + " '5α-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'NAD(aq)',\n", + " '5β-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '5β-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'NADH(aq)',\n", + " '5alpha-androstane-3beta,17alpha-diol(aq)',\n", + " 'NAD(aq)',\n", + " '5alpha-androstane-17alpha-ol-3-one(aq)',\n", + " 'NADH(aq)',\n", + " '4-androstene-17-ol-3-one(aq)',\n", + " 'NAD(aq)',\n", + " '4-androstene-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '5α-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'NADH(aq)',\n", + " '1,2-propanediol(aq)',\n", + " 'NADP(aq)',\n", + " 'L-lactaldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '3-hydroxypropanoate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '(R)-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " '2-hydroxy-3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '4-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '4-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'estradiol-17(aq)',\n", + " 'NAD(aq)',\n", + " 'estrone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " '5-oxo-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NADP(aq)',\n", + " '(R)-glyceraldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " 'glycolate(aq)',\n", + " 'NADP(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '3-phospho-D-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " '3-phosphohydroxypyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)',\n", + " 'NAD(aq)',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '3-hydroxybenzyl alcohol(aq)',\n", + " 'NADP(aq)',\n", + " '3-hydroxybenzaldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)',\n", + " 'NADP(aq)',\n", + " '3-oxobutanoyl-[acyl-carrier protein](aq)',\n", + " 'NADPH(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'NAD(aq)',\n", + " '3-dehydrocarnitine(aq)',\n", + " 'NADH(aq)',\n", + " 'indole-3-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'indole-3-pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glucose(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucono-1,5-lactone(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADP(aq)',\n", + " '5-dehydro-D-fructose(aq)',\n", + " 'NADPH(aq)',\n", + " '2-deoxy-D-gluconate(aq)',\n", + " 'NAD(aq)',\n", + " '2-deoxy-3-dehydro-D-gluconate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-threonate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxo-L-threonate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol 6-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'prostaglandin E1(aq)',\n", + " 'NAD(aq)',\n", + " '15-oxo-prostaglandin E1(aq)',\n", + " 'NADH(aq)',\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '4-pregnene-11β,17α-diol-3,20,21-trione( aq)',\n", + " 'NADH(aq)',\n", + " '7,8-dihydrobiopterin(aq)',\n", + " 'NADP(aq)',\n", + " 'sepiapterin(aq)',\n", + " 'NADPH(aq)',\n", + " 'coniferyl alcohol(aq)',\n", + " 'NADP(aq)',\n", + " 'coniferyl aldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(R)-2-hydroxyglutarate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " '2-oxo-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " '(S)-lactate(aq)',\n", + " 'oxaloacetate(aq)',\n", + " '(S)-malate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'lactose(aq)',\n", + " 'cytochrome c(aq)',\n", + " '3-oxolactose(aq)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'formate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'carbon dioxide(aq)',\n", + " 'NADH(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'CoA(aq)',\n", + " 'NAD(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADP(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-4-aspartyl phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)',\n", + " 'NADP(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-4-aspartyl phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(aminomethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-animomethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(chloroethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-chloroethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(chloromethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-chloromethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(ethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-ethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(methoxy)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-methoxy)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(methyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-methyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'NAD(aq)',\n", + " '3-phospho-D-glyceroyl phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'phosphonate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl)phosphonate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'ADP(aq)',\n", + " 'NAD(aq)',\n", + " 'orthophosphate(aq)',\n", + " '3-phospho-D-glycerate(aq)',\n", + " 'ATP(aq)',\n", + " 'NADH(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'CoA(aq)',\n", + " 'NADP(aq)',\n", + " 'oxalyl-CoA(aq)',\n", + " 'NADPH(aq)',\n", + " 'formate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'carbon dioxide(aq)',\n", + " 'NADPH(aq)',\n", + " 'succinate(aq)',\n", + " 'O2(aq)',\n", + " 'fumarate(aq)',\n", + " 'H2O(l)',\n", + " '(S)-dihydroorotate(aq)',\n", + " 'NAD(aq)',\n", + " 'orotate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-dihydroorotate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'orotate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'L-alanine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'desamino NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'desamino NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-leucine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '4-methyl-2-oxopentanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'glycine(ag)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'glyoxylate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-erythro-3,5-diaminohexanoate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '(S)-5-amino-3-oxohexanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " '2,4-diaminopentanoate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-amino-4-oxopentanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " '(S)-proline(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-pyrroline-2-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '(S)-proline(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-pyrroline-5-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '7,8-dihydrofolate(aq)',\n", + " 'folate(aq)',\n", + " '5,6,7,8-tetrahydrofolate(aq)',\n", + " '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'NADP(aq)',\n", + " '7,8-dihydrofolate(aq)',\n", + " 'NADPH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'NADP(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'NADPH(aq)',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'L-arginine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'AP-NAD(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'AP-NADH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'NAD(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'NADH(aq)',\n", + " \"2,2'-iminodipropanoate(aq)\",\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'L-alanine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '2-methyliminodiacetatc(aq)',\n", + " 'NAD(aq)',\n", + " 'H20(l)',\n", + " 'glycine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-pipecolate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-piperidine-2-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " 'NAD(aq)',\n", + " 'NADPH(aq)',\n", + " 'NADH(aq)',\n", + " 'NADP(aq)',\n", + " 'reduced glutathione(aq)',\n", + " 'NADP(aq)',\n", + " 'oxidized glutathione(aq)',\n", + " 'NADPH(aq)',\n", + " 'reduced thioredoxin(aq)',\n", + " 'NADP(aq)',\n", + " 'oxidized thioredoxin(aq)',\n", + " 'NADPH(aq)',\n", + " 'NADH(aq)',\n", + " 'O2(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '5-methyltetrahydrofolate(aq)',\n", + " 'flavin-adenine dinucleotide(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'reduced flavin-adenine dinucleotide(aq)',\n", + " 'dihydrolipoamide(aq)',\n", + " 'NAD(aq)',\n", + " 'lipoamide(aq)',\n", + " 'NADH(aq)',\n", + " 'dihydro--lipoate(aq)',\n", + " 'NAD(aq)',\n", + " '-lipoate(aq)',\n", + " 'NADH(aq)',\n", + " 'CoA(aq)',\n", + " 'oxidized glutathione(aq)',\n", + " 'CoA-glutathione(aq)',\n", + " 'reduced glutathione(aq)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'O2(aq)',\n", + " 'cytochrome c(aq)',\n", + " 'H2O(l)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'O2(aq)',\n", + " 'cytochrome c(aq)',\n", + " 'H2O(l)',\n", + " 'H2(aq)',\n", + " 'NAD(aq)',\n", + " 'NADH(aq)',\n", + " 'betaine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'N,N-dimethylglycine(aq)',\n", + " 'L-methionine(aq)',\n", + " 'dimethylacetothetin(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-methylthioglycolate(aq)',\n", + " 'L-methionine(aq)',\n", + " 'dimethylpropiothetin(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-methyltpropiothetin(aq)',\n", + " 'L-methionine(aq)',\n", + " 'S-methylmethionine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'L-methionine(aq)',\n", + " 'trimethylsulfonium(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'dimethylsulfide(aq)',\n", + " 'L-methionine(aq)',\n", + " 'S-adenosyl-L-methionine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-adenosyl-L-homocysteine(aq)',\n", + " 'L-methionine(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'dUMP(aq)',\n", + " 'dihydrofolate(aq)',\n", + " 'dTMP(aq)',\n", + " 'glycine(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'L-threonine(aq)',\n", + " 'glycine(aq)',\n", + " 'formaldehyde(aq)',\n", + " 'L-serine(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'glycine(aq)',\n", + " 'H2O(l)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'L-serine(aq)',\n", + " '5-formiminotetrahydrofolate(aq)',\n", + " 'glycine(aq)',\n", + " 'N-formiminoglycine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5-formiminotetrahydrofolate(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'N-formimino-L-glutamate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '2-hydroxymethylserine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'D-serine(aq)',\n", + " 'H2O(l)',\n", + " '2-hydroxymethylserine(aq)',\n", + " 'D-serine(aq)',\n", + " 'formaldehyde(aq)',\n", + " '2-methylserine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'D-alanine(aq)',\n", + " 'H2O(l)',\n", + " '2-methylserine(aq)',\n", + " 'D-alanine(aq)',\n", + " 'formaldehyde(aq)',\n", + " 'oxaloacetate(aq)',\n", + " 'propanoyl-CoA(aq)',\n", + " 'pyruvate(aq)',\n", + " 'methylmalonyl-CoA(aq)',\n", + " 'carbamoyl phosphate(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'L-citrulline(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-arginine(aq)',\n", + " 'glycine(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'guanidinoacetate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phospahte(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'glycolaldehyde(aq)',\n", + " 'L-erythrulose(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'sedoheptulose 7-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-ribose 5-phosphate(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde(aq)',\n", + " 'sedoheptulose 7-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'imidazole(aq)',\n", + " 'N-acetylimidazole(aq)',\n", + " 'orthophosphate(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'acetanilide(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'aniline(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-acetylacetanalide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-aminoacetophenone(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-chloroacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-chloroaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-cyanoacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-cyanoaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'ethyl 4-acetamidobenzoate(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'ethyl 4-aminobenzoate(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methoxyacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methoxyaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methylacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'p-toluidine(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-nitroacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-nitroaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'α,α,α-trifluoro-m-acetanilide(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'α,α,α-trifluoro-m-toluidine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'choline(aq)',\n", + " 'CoA(aq)',\n", + " 'O-acetylcholine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-acetylcarnitine(aq)',\n", + " 'butyryl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-butyrylcarnitine(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-propionylcarnitine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'CoA(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'imidazole(aq)',\n", + " 'N-acetylimidazole(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'formyl-CoA(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'CoA(aq)',\n", + " 'formyl phosphate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'formate(aq)',\n", + " 'CoA(aq)',\n", + " 'acetate(aq)',\n", + " 'ATP(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'ADP(aq)',\n", + " 'orthophospate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'CoA(aq)',\n", + " 'acetoacetyl-CoA(aq)',\n", + " 'palmitoyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-palmitoylcarnitine(aq)',\n", + " 'N-2-acetyl-L-ornithine(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'N-acetyl-L-glutamate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'acyl-carrier protein(aq)',\n", + " 'CoA(aq)',\n", + " 'acetyl-[acyl-carrier protein](aq)',\n", + " 'malonyl-CoA(aq)',\n", + " 'acyl-carrier protein(aq)',\n", + " 'CoA(aq)',\n", + " 'malonyl-[acyl-carrier protein](aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'formate(aq)',\n", + " 'CoA(aq)',\n", + " 'pyruvate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'formate(aq)',\n", + " 'sucrose(aq)',\n", + " 'orthophosphate(aq)',\n", + " '-D-glucose 1-phosphate(aq)',\n", + " 'D-fructose(aq)',\n", + " 'maltose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'sucrose(aq)',\n", + " '(2,6-beta-D-fructosyl)n(aq)',\n", + " 'D-glucose(aq)',\n", + " '(2,6-beta-D-fructosyl)n+1(aq)',\n", + " 'ADPglucose(aq)',\n", + " 'D-fructose(aq)',\n", + " 'ADP(aq)',\n", + " 'sucrose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'D-fructose(aq)',\n", + " 'UDP(aq)',\n", + " 'sucrose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'UDP(aq)',\n", + " 'sucrose 6-phosphate(aq)',\n", + " 'UDP-glucose',\n", + " 'D-glucose 6-phosphate',\n", + " 'UDP',\n", + " \"alpha,alpha'-trehalose 6-phosphate\",\n", + " 'cycloheptaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cyclohexaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cyclooctaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cellobiose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'cellotriose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'cellobiose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'laminaribiose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'laminaritetraose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'laminaritriose(aq)',\n", + " 'alpha-D-glucose 1-phosphate(aq)',\n", + " 'laminaritriose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'laminaribiose(aq)',\n", + " 'alpha-D-glucose 1-phosphate(aq)',\n", + " ',-trehalose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " '1--D-galactosyl-myo-inositol(aq)',\n", + " 'raffinose(aq)',\n", + " 'myo-inositol(aq)',\n", + " 'stachyose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'sinapate(aq)',\n", + " 'UDP(aq)',\n", + " '1-sinapoyl-D-glucose(aq)',\n", + " 'adenosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'adenine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " \"2'-deoxyinosine(aq)\",\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '2-deoxy--D-ribose 1-phosphate(aq)',\n", + " 'guanosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'guanine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'alpha-D-ribose 1-phosphate(aq)',\n", + " 'nicotinamide(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'nicotinamide riboside(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'xanthosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'xanthine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'thymine(aq)',\n", + " '5-methyluridine(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '5-methyluridine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'thymine(aq)',\n", + " 'alpha-D-ribose-1-phosphate',\n", + " 'uridine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'uracil(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'thymidine(aq)',\n", + " 'adenine(aq)',\n", + " \"2'-deoxyadenosine(aq)\",\n", + " 'thymine(aq)',\n", + " \"2'-deoxyinosine(aq)\",\n", + " 'adenine(aq)',\n", + " \"2'-deoxyadenosine(aq)\",\n", + " 'hypoxanthine(aq)',\n", + " 'adenine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'AMP(aq)',\n", + " 'pyrophosphate(aq)',\n", + " '5-amino-4-imidazolecarboxamide(aq)',\n", + " '5-phospho-alpha-D-ribose 1-dipihosphate(aq)',\n", + " \"5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq)\",\n", + " 'pyrophosphate(aq)',\n", + " 'GMP(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'IMP(aq)',\n", + " 'guanine(aq)',\n", + " 'guanine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'GMP(aq)',\n", + " 'pyrophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'IMP(aq)',\n", + " ...]" + ] + }, + "execution_count": 26, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "compounds" + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "id": "692a44a9", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'benzyl alcohol(aq)': 'kegg:C00556',\n", + " 'NAD(aq)': 'kegg:C00003',\n", + " 'benzaldehyde(aq)': 'kegg:C00261',\n", + " 'NADH(aq)': 'kegg:C00004',\n", + " '1-butanol(aq)': 'kegg:C06142',\n", + " 'butanal(aq)': 'kegg:C01412',\n", + " 'cyclohexanol(aq)': 'kegg:C00854',\n", + " 'cyclohexanone(aq)': 'kegg:C00414',\n", + " 'ethanol(aq)': 'kegg:C00469',\n", + " 'acetaldehyde(aq)': 'kegg:C00084',\n", + " 'AP-NAD(aq)': 'COCO:COCOM00012',\n", + " 'AP-NADH(aq)': 'COCO:COCOM00013',\n", + " 'cis-3-hexene-1-ol(aq)': 'kegg:C08492',\n", + " 'cis-3-hexenal(aq)': 'kegg:C16310',\n", + " '1-octanol(aq)': 'kegg:C00756',\n", + " 'octanal(aq)': 'kegg:C01545',\n", + " '1-propanol(aq)': 'kegg:C05979',\n", + " 'propanal(aq)': 'kegg:C00479',\n", + " '2-propanol(aq)': 'kegg:C01845',\n", + " 'acetone(aq)': 'kegg:C00207',\n", + " 'vitamin A alcohol(aq)': 'kegg:C00473',\n", + " 'vitamin A aldehyde(aq)': 'kegg:C00376',\n", + " 'L-homoserine(aq)': 'kegg:C00263',\n", + " 'L-aspartate 4-semialdehyde(aq)': 'kegg:C00441',\n", + " 'NADP(aq)': 'kegg:C00006',\n", + " 'NADPH(aq)': 'kegg:C00005',\n", + " '(R,R)-2,3-butanediol(aq)': 'kegg:C03044',\n", + " '(R)-acetoin(aq)': 'kegg:C00810',\n", + " 'glycerol(aq)': 'kegg:C00116',\n", + " 'dihydroxyacetone(aq)': 'kegg:C00184',\n", + " 'sn-glycerol 3-phosphate(aq)': 'kegg:C00093',\n", + " 'dihydroxyacetone phosphate(aq)': 'kegg:C00111',\n", + " 'sn-glycerol 3-phosphate': 'kegg:C00093',\n", + " 'L-iditol(aq)': 'kegg:C01507',\n", + " 'L-sorbose(aq)': 'kegg:C00247',\n", + " 'ribitol(aq)': 'kegg:C00474',\n", + " 'D-ribulose(aq)': 'kegg:C00309',\n", + " 'D-sorbitol(aq)': 'kegg:C00794',\n", + " 'D-fructose(aq)': 'kegg:C00095',\n", + " 'xylitol(aq)': 'kegg:C00379',\n", + " 'D-xylulose(aq)': 'kegg:C00310',\n", + " 'L-xylulose(aq)': 'kegg:C00312',\n", + " 'galactitol(aq)': 'kegg:C01697',\n", + " 'D-tagatose(aq)': 'kegg:C00795',\n", + " 'D-mannitol(aq)': 'kegg:C00392',\n", + " 'D-mannitol 1-phosphate(aq)': 'kegg:C00644',\n", + " 'D-fructose 6-phosphate(aq)': 'kegg:C00085',\n", + " 'D-xylose(aq)': 'kegg:C00181',\n", + " 'quinate(aq)': 'kegg:C00296',\n", + " '5-dehydroquinate(aq)': 'kegg:C00944',\n", + " 'shikimate(aq)': 'kegg:C00493',\n", + " '3-dehydroshikimate(aq)': 'kegg:C02637',\n", + " '(R)-glycerate(aq)': 'kegg:C00258',\n", + " 'hydroxypyruvate(aq)': 'kegg:C00168',\n", + " 'glycolate(aq)': 'kegg:C00160',\n", + " 'glyoxylate(aq)': 'kegg:C00048',\n", + " '2-hydroxybutanoate(aq)': 'kegg:C05984',\n", + " '2-oxobutanoate(aq)': 'kegg:C00109',\n", + " '(S)-lactate(aq)': 'kegg:C00186',\n", + " 'pyruvate(aq)': 'kegg:C00022',\n", + " '(R)-lactate(aq)': 'kegg:C00256',\n", + " '(R)-3-hydroxybutanoate(aq)': 'kegg:C01089',\n", + " '3-oxobutanoate(aq)': 'kegg:C00164',\n", + " '3-hydroxy-2-methylpropanoate(aq)': 'kegg:C01188',\n", + " '2-methyl-3-oxopropanoate(aq)': 'kegg:C00349',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " '3-oxobutanoyl-CoA(aq)': 'kegg:C00332',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq)': 'kegg:C05268',\n", + " '3-oxohexanoyl-CoA(aq)': 'kegg:C05269',\n", + " '(S)-malate(aq)': 'kegg:C00149',\n", + " 'oxaloacetate(aq)': 'kegg:C00036',\n", + " 'meso-tartrate(aq)': 'kegg:C00552',\n", + " '(E)-dihydroxyfumarate(aq)': 'kegg:C00975',\n", + " '2-oxo-3-hydroxysuccinate(aq)': 'kegg:C03459',\n", + " 'L-glutamate(aq)': 'kegg:C00025',\n", + " 'L-aspartate(aq)': 'kegg:C00049',\n", + " '2-oxoglutarate(aq)': 'kegg:C00026',\n", + " 'acetyl-CoA(aq)': 'kegg:C00024',\n", + " 'H2O(l)': 'kegg:C00001',\n", + " 'citrate(aq)': 'kegg:C00158',\n", + " 'CoA(aq)': 'kegg:C00010',\n", + " 'carbon dioxide(aq)': 'kegg:C00288',\n", + " 'isocitrate(aq)': 'kegg:C00311',\n", + " '6-phospho-D-gluconate(aq)': 'kegg:C00345',\n", + " 'D-ribulose 5-phosphate(aq)': 'kegg:C00199',\n", + " '-D-glucose(aq)': 'kegg:C00031',\n", + " 'D-glucono-1,5-lactone(aq)': 'kegg:C00198',\n", + " 'D-galactose(aq)': 'kegg:C00124',\n", + " 'D-galactono-1,4-lactone(aq)': 'kegg:C03383',\n", + " 'D-glucose 6-phosphate(aq)': 'kegg:C00092',\n", + " 'D-glucono-1,5-lactone 6-phosphate(aq)': 'kegg:C01236',\n", + " '4-androstene-17-ol-3-one(aq)': 'kegg:C00535',\n", + " '4-androstene-3,17-dione(aq)': 'kegg:C00280',\n", + " '1,2-propanediol(aq)': 'kegg:C00583',\n", + " 'L-lactaldehyde(aq)': 'kegg:C00424',\n", + " '3-hydroxypropanoate(aq)': 'kegg:C01013',\n", + " '3-oxopropanoate(aq)': 'kegg:C00222',\n", + " '2-hydroxy-3-oxopropanoate(aq)': 'kegg:C01146',\n", + " '4-hydroxybutanoate(aq)': 'kegg:C00989',\n", + " '4-oxobutanoate(aq)': 'kegg:C00232',\n", + " 'estradiol-17(aq)': 'kegg:C00951',\n", + " 'estrone(aq)': 'kegg:C00468',\n", + " '(R)-glyceraldehyde(aq)': 'kegg:C00577',\n", + " '3-phospho-D-glycerate(aq)': 'kegg:C00197',\n", + " '3-phosphohydroxypyruvate(aq)': 'kegg:C03232',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)': 'kegg:C04367',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)': 'kegg:C01244',\n", + " '3-hydroxybenzyl alcohol(aq)': 'kegg:C03351',\n", + " '3-hydroxybenzaldehyde(aq)': 'kegg:C03067',\n", + " 'L-carnitine(aq)': 'kegg:C00318',\n", + " '3-dehydrocarnitine(aq)': 'kegg:C02636',\n", + " 'indole-3-lactate(aq)': 'kegg:C02043',\n", + " 'indole-3-pyruvate(aq)': 'kegg:C00331',\n", + " 'D-glucose(aq)': 'kegg:C00031',\n", + " '5-dehydro-D-fructose(aq)': 'kegg:C00273',\n", + " '2-deoxy-D-gluconate(aq)': 'kegg:C02782',\n", + " '2-deoxy-3-dehydro-D-gluconate(aq)': 'kegg:C03926',\n", + " 'L-threonate(aq)': 'kegg:C01620',\n", + " '3-oxo-L-threonate(aq)': 'kegg:C03064',\n", + " 'D-sorbitol 6-phosphate(aq)': 'kegg:C01096',\n", + " 'prostaglandin E1(aq)': 'kegg:C04741',\n", + " '15-oxo-prostaglandin E1(aq)': 'kegg:C04654',\n", + " '7,8-dihydrobiopterin(aq)': 'kegg:C02953',\n", + " 'sepiapterin(aq)': 'kegg:C00835',\n", + " 'coniferyl alcohol(aq)': 'kegg:C00590',\n", + " 'coniferyl aldehyde(aq)': 'kegg:C02666',\n", + " '(R)-2-hydroxyglutarate(aq)': 'kegg:C01087',\n", + " 'D-gluconate(aq)': 'kegg:C00257',\n", + " '2-oxo-D-gluconate(aq)': 'kegg:C06473',\n", + " 'lactose(aq)': 'kegg:C00243',\n", + " 'cytochrome c(aq)': '4 kegg:C00125',\n", + " '3-oxolactose(aq)': 'kegg:C05403',\n", + " 'reduced cytochrome c(aq)': '4 kegg:C00126',\n", + " 'formate(aq)': 'kegg:C00058',\n", + " 'orthophosphate(aq)': 'kegg:C00009',\n", + " 'L-4-aspartyl phosphate(aq)': 'kegg:C03082',\n", + " 'L-aspartate-4-semialdehyde(aq)': 'kegg:C00441',\n", + " 'D-glyceraldehyde 3-phosphate(aq)': 'kegg:C00118',\n", + " '3-phospho-D-glyceroyl phosphate(aq)': 'kegg:C00236',\n", + " 'ADP(aq)': 'kegg:C00008',\n", + " 'ATP(aq)': 'kegg:C00002',\n", + " 'oxalyl-CoA(aq)': 'kegg:C00313',\n", + " 'succinate(aq)': 'kegg:C00042',\n", + " 'O2(aq)': 'kegg:C00007',\n", + " 'fumarate(aq)': 'kegg:C00122',\n", + " '(S)-dihydroorotate(aq)': 'kegg:C00337',\n", + " 'orotate(aq)': 'kegg:C00295',\n", + " 'L-alanine(aq)': 'kegg:C00041',\n", + " 'ammonia(aq)': 'kegg:C00014',\n", + " 'L-leucine(aq)': 'kegg:C00123',\n", + " '4-methyl-2-oxopentanoate(aq)': 'kegg:C00233',\n", + " 'L-erythro-3,5-diaminohexanoate(aq)': 'kegg:C01186',\n", + " '(S)-5-amino-3-oxohexanoate(aq)': 'kegg:C03656',\n", + " '2,4-diaminopentanoate(aq)': 'kegg:C03943',\n", + " '2-amino-4-oxopentanoate(aq)': 'kegg:C03341',\n", + " '(S)-proline(aq)': 'kegg:C00148',\n", + " 'D-1-pyrroline-2-carboxylate(aq)': 'kegg:C03564',\n", + " 'D-1-pyrroline-5-carboxylate(aq)': 'kegg:C03912',\n", + " '7,8-dihydrofolate(aq)': 'kegg:C00415',\n", + " 'folate(aq)': 'kegg:C00504',\n", + " '5,6,7,8-tetrahydrofolate(aq)': 'kegg:C00101',\n", + " '5,10-methylenetetrahydrofolate(aq)': 'kegg:C00143',\n", + " '5,10-methenyltetrahydrofolate(aq)': 'kegg:C00445',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq)': 'kegg:C04137',\n", + " 'L-arginine(aq)': 'kegg:C00062',\n", + " \"2,2'-iminodipropanoate(aq)\": 'kegg:C03210',\n", + " 'L-pipecolate(aq)': 'kegg:C00408',\n", + " 'D-1-piperidine-2-carboxylate(aq)': 'kegg:C04092',\n", + " 'reduced glutathione(aq)': '2 kegg:C00051',\n", + " 'oxidized glutathione(aq)': 'kegg:C00127',\n", + " 'reduced thioredoxin(aq)': 'kegg:C00342',\n", + " 'oxidized thioredoxin(aq)': 'kegg:C00343',\n", + " '5-methyltetrahydrofolate(aq)': 'kegg:C00440',\n", + " 'flavin-adenine dinucleotide(aq)': 'kegg:C00016',\n", + " 'reduced flavin-adenine dinucleotide(aq)': 'kegg:C01352',\n", + " 'dihydrolipoamide(aq)': 'kegg:C00579',\n", + " 'lipoamide(aq)': 'kegg:C00248',\n", + " 'dihydro--lipoate(aq)': 'kegg:C02147',\n", + " '-lipoate(aq)': 'kegg:C00725',\n", + " 'CoA-glutathione(aq)': 'kegg:C00920',\n", + " 'H2(aq)': 'kegg:C00282',\n", + " 'betaine(aq)': 'kegg:C00719',\n", + " 'L-homocysteine(aq)': 'kegg:C00155',\n", + " 'N,N-dimethylglycine(aq)': 'kegg:C01026',\n", + " 'L-methionine(aq)': 'kegg:C00073',\n", + " 'dimethylacetothetin(aq)': 'kegg:C03392',\n", + " 'S-methylthioglycolate(aq)': 'kegg:C03173',\n", + " 'trimethylsulfonium(aq)': 'kegg:C01008',\n", + " 'dimethylsulfide(aq)': 'kegg:C00580',\n", + " 'S-adenosyl-L-methionine(aq)': 'kegg:C00019',\n", + " 'S-adenosyl-L-homocysteine(aq)': 'kegg:C00021',\n", + " 'dUMP(aq)': 'kegg:C00365',\n", + " 'dihydrofolate(aq)': 'kegg:C00415',\n", + " 'dTMP(aq)': 'kegg:C00364',\n", + " 'glycine(aq)': 'kegg:C00037',\n", + " 'L-threonine(aq)': 'kegg:C00188',\n", + " 'formaldehyde(aq)': 'kegg:C00067',\n", + " 'L-serine(aq)': 'kegg:C00065',\n", + " 'tetrahydrofolate(aq)': 'kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq)': 'kegg:C00664',\n", + " 'N-formiminoglycine(aq)': 'kegg:C02718',\n", + " 'N-formimino-L-glutamate(aq)': 'kegg:C00439',\n", + " '2-hydroxymethylserine(aq)': 'kegg:C03059',\n", + " 'D-serine(aq)': 'kegg:C00740',\n", + " '2-methylserine(aq)': 'kegg:C02115',\n", + " 'D-alanine(aq)': 'kegg:C00133',\n", + " 'propanoyl-CoA(aq)': 'kegg:C00100',\n", + " 'methylmalonyl-CoA(aq)': 'kegg:C02557',\n", + " 'carbamoyl phosphate(aq)': 'kegg:C00169',\n", + " 'L-ornithine(aq)': 'kegg:C00077',\n", + " 'L-citrulline(aq)': 'kegg:C00327',\n", + " 'guanidinoacetate(aq)': 'kegg:C00581',\n", + " 'D-erythrose 4-phosphate(aq)': 'kegg:C00279',\n", + " 'D-xylulose 5-phosphate(aq)': 'kegg:C00231',\n", + " 'D-erythrose 4-phospahte(aq)': 'kegg:C00279',\n", + " 'glycolaldehyde(aq)': 'kegg:C00266',\n", + " 'L-erythrulose(aq)': 'kegg:C02045',\n", + " 'sedoheptulose 7-phosphate(aq)': 'kegg:C05382',\n", + " 'D-ribose 5-phosphate(aq)': 'kegg:C00117',\n", + " 'D-glyceraldehyde-3-phosphate(aq)': 'kegg:C00118',\n", + " 'D-glyceraldehyde(aq)': 'kegg:C00577',\n", + " 'acetyl phosphate(aq)': 'kegg:C00227',\n", + " 'imidazole(aq)': 'kegg:C01589',\n", + " 'N-acetylimidazole(aq)': 'kegg:C02560',\n", + " 'choline(aq)': 'kegg:C00114',\n", + " 'O-acetylcholine(aq)': 'kegg:C01996',\n", + " 'L-acetylcarnitine(aq)': 'kegg:C02571',\n", + " 'propionyl-CoA(aq)': 'kegg:C00100',\n", + " 'L-propionylcarnitine(aq)': 'kegg:C03017',\n", + " 'formyl-CoA(aq)': 'kegg:C00798',\n", + " 'formyl phosphate(aq)': 'kegg:C02405',\n", + " 'acetate(aq)': 'kegg:C00033',\n", + " 'orthophospate(aq)': 'kegg:C00009',\n", + " 'acetoacetyl-CoA(aq)': 'kegg:C00332',\n", + " 'palmitoyl-CoA(aq)': 'kegg:C00154',\n", + " 'L-palmitoylcarnitine(aq)': 'kegg:C02990',\n", + " 'N-2-acetyl-L-ornithine(aq)': 'kegg:C00437',\n", + " 'N-acetyl-L-glutamate(aq)': 'kegg:C00624',\n", + " 'acyl-carrier protein(aq)': 'kegg:C00229',\n", + " 'acetyl-[acyl-carrier protein](aq)': 'kegg:C03939',\n", + " 'malonyl-CoA(aq)': 'kegg:C00083',\n", + " 'malonyl-[acyl-carrier protein](aq)': 'kegg:C01209',\n", + " 'sucrose(aq)': 'kegg:C00089',\n", + " '-D-glucose 1-phosphate(aq)': 'kegg:C00103',\n", + " 'maltose(aq)': 'kegg:C00208',\n", + " 'D-glucose 1-phosphate(aq)': 'kegg:C00103',\n", + " 'ADPglucose(aq)': 'kegg:C00498',\n", + " 'UDPglucose(aq)': 'kegg:C00029',\n", + " 'UDP(aq)': '2 kegg:C00015',\n", + " 'sucrose 6-phosphate(aq)': 'kegg:C16688',\n", + " 'UDP-glucose': 'kegg:C00029',\n", + " 'D-glucose 6-phosphate': 'kegg:C00092',\n", + " 'UDP': 'kegg:C00015',\n", + " \"alpha,alpha'-trehalose 6-phosphate\": 'kegg:C00689',\n", + " 'cellobiose(aq)': 'kegg:C00185',\n", + " 'cellotriose(aq)': 'kegg:C06219',\n", + " 'laminaribiose(aq)': 'kegg:C02048',\n", + " ',-trehalose(aq)': 'kegg:C01083',\n", + " '1--D-galactosyl-myo-inositol(aq)': 'kegg:C01235',\n", + " 'raffinose(aq)': 'kegg:C00492',\n", + " 'myo-inositol(aq)': 'kegg:C00137',\n", + " 'stachyose(aq)': 'kegg:C01613',\n", + " 'sinapate(aq)': 'kegg:C00482',\n", + " '1-sinapoyl-D-glucose(aq)': 'kegg:C01175',\n", + " 'adenosine(aq)': 'kegg:C00212',\n", + " 'adenine(aq)': 'kegg:C00147',\n", + " 'D-ribose 1-phosphate(aq)': 'kegg:C00620',\n", + " \"2'-deoxyinosine(aq)\": 'kegg:C05512',\n", + " 'hypoxanthine(aq)': 'kegg:C00262',\n", + " '2-deoxy--D-ribose 1-phosphate(aq)': 'kegg:C00672',\n", + " 'guanosine(aq)': 'kegg:C00387',\n", + " 'guanine(aq)': 'kegg:C00242',\n", + " 'inosine(aq)': 'kegg:C00294',\n", + " 'nicotinamide(aq)': 'kegg:C00153',\n", + " 'nicotinamide riboside(aq)': 'kegg:C03150',\n", + " 'xanthosine(aq)': 'kegg:C01762',\n", + " 'xanthine(aq)': 'kegg:C00385',\n", + " 'uridine(aq)': 'kegg:C00299',\n", + " 'uracil(aq)': 'kegg:C00106',\n", + " 'thymidine(aq)': 'kegg:C00214',\n", + " \"2'-deoxyadenosine(aq)\": 'kegg:C00559',\n", + " 'thymine(aq)': 'kegg:C00178',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)': 'kegg:C00119',\n", + " 'AMP(aq)': 'kegg:C00020',\n", + " 'pyrophosphate(aq)': 'kegg:C00013',\n", + " 'GMP(aq)': 'kegg:C00144',\n", + " 'IMP(aq)': 'kegg:C00130',\n", + " \"orotidine 5'-phosphate(aq)\": 'kegg:C01103',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq)': 'kegg:C04752',\n", + " '4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq)': 'kegg:C04327',\n", + " 'thiamine monophosphate(aq)': 'kegg:C01081',\n", + " 'erythro-3-hydroxyaspartate(aq)': 'kegg:C19838',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)': 'kegg:C03459',\n", + " 'L-histidinol phosphate(aq)': 'kegg:C01100',\n", + " '3-(imidazol-4-yl)-2-oxopropyl phosphate(aq)': 'kegg:C01267',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)': 'kegg:C03912',\n", + " 'L-glutamine(aq)': 'kegg:C00064',\n", + " '2-oxoglutaramate(aq)': 'kegg:C00940',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq)': 'kegg:C04462',\n", + " 'N-succinyl-L-2,6-diaminoheptanedioate(aq)': 'kegg:C04421',\n", + " 'L-alanine': 'kegg:C00041',\n", + " '3-oxopropanoate': 'kegg:C00222',\n", + " 'beta-alanine': 'kegg:C00099',\n", + " 'pyruvate': 'kegg:C00022',\n", + " '4-aminobutanoate(aq)': 'kegg:C00334',\n", + " 'D-glutamate(aq)': 'kegg:C00217',\n", + " 'pyridoxamine(aq)': 'kegg:C00534',\n", + " 'pyridoxal(aq)': 'kegg:C00250',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq)': 'kegg:C04268',\n", + " 'dTDP-4-dehydro-6-deoxy-D-glucose(aq)': 'kegg:C11907',\n", + " 'L-2-aminoadipate(aq)': 'kegg:C00956',\n", + " '2-oxoadipate(aq)': 'kegg:C00322',\n", + " '3-phosphonooxypyruvate(aq)': 'kegg:C03232',\n", + " 'O-phospho-L-serine(aq)': 'kegg:C01005',\n", + " 'D-mannose(aq)': 'kegg:C00159',\n", + " 'D-mannose 6-phosphate(aq)': 'kegg:C00275',\n", + " 'D-galactose 1-phosphate(aq)': 'kegg:C03384',\n", + " 'D-fructose 1,6-bisphosphate(aq)': 'kegg:C00354',\n", + " \"3'-dephospho-CoA(aq)\": 'kegg:C00882',\n", + " 'phosphoenolpyruvate(aq)': 'kegg:C00074',\n", + " '1-phosphatidyl-1D-myo-inositol(aq)': 'kegg:C01194',\n", + " '1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)': 'kegg:C01277',\n", + " 'ammonium carbamate(aq)': 'kegg:C01563',\n", + " '4-phospho-L-aspartate(aq)': 'kegg:C03082',\n", + " 'phosphoguanidinoacetate(aq)': 'kegg:C03166',\n", + " 'creatine(aq)': 'kegg:C00300',\n", + " 'phosphocreatine(aq)': 'kegg:C02305',\n", + " 'N-w-phospho-L-arginine(aq)': 'kegg:C05945',\n", + " 'taurocyamine(aq)': 'kegg:C01959',\n", + " 'N-w-phosphotaurocyamine(aq)': 'kegg:C03149',\n", + " 'lombricine(aq)': 'kegg:C14177',\n", + " 'N-w-phospholombricine(aq)': 'kegg:C14178',\n", + " '(R)-5-phosphomevalonate(aq)': 'kegg:C01107',\n", + " '(R)-5-diphosphomevalonate(aq)': 'kegg:C01143',\n", + " 'dADP(aq)': '2 kegg:C00206',\n", + " 'dAMP(aq)': 'kegg:C00360',\n", + " 'dATP(aq)': 'kegg:C00131',\n", + " \"adenosine 5'-tetraphosphate(aq)\": 'kegg:C03483',\n", + " 'UTP(aq)': 'kegg:C00075',\n", + " 'UMP(aq)': 'kegg:C00105',\n", + " \"inosine 5'-diphosphate(aq)\": 'kegg:C00104',\n", + " \"inosine 5'-triphosphate(aq)\": 'kegg:C00081',\n", + " 'GDP(aq)': 'kegg:C00035',\n", + " 'GTP(aq)': 'kegg:C00044',\n", + " 'dGMP(aq)': 'kegg:C00362',\n", + " 'dGDP(aq)': 'kegg:C00361',\n", + " 'dTDP(aq)': 'kegg:C00363',\n", + " 'CMP(aq)': 'kegg:C00055',\n", + " 'CDP(aq)': 'kegg:C00112',\n", + " 'dCMP(aq)': 'kegg:C00239',\n", + " 'dCDP(aq)': 'kegg:C00705',\n", + " 'ATP': 'kegg:C00002',\n", + " 'beta-Nicotinamide mononucleotide': 'kegg:C00455',\n", + " 'NAD': 'kegg:C00003',\n", + " 'pyrophosphate': 'kegg:C00013',\n", + " 'sulfate(aq)': 'kegg:C00059',\n", + " \"adenosine 5'-phosphosulfate(aq)\": 'kegg:C00224',\n", + " 'UDPgalactose(aq)': 'kegg:C00052',\n", + " '-D-galactose 1-phosphate(aq)': 'kegg:C03384',\n", + " 'D-mannose 1-phosphate(aq)': 'kegg:C00636',\n", + " 'GDPmannose(aq)': 'kegg:C00096',\n", + " 'CTP(aq)': 'kegg:C00063',\n", + " 'O-phosphorylethanolamine(aq)': 'kegg:C00346',\n", + " 'CDPethanolamine(aq)': 'kegg:C00570',\n", + " 'phosphorylcholine(aq)': 'kegg:C00588',\n", + " 'CDPcholine(aq)': 'kegg:C00307',\n", + " 'N-acetyl--D-glucosamine 1-phosphate(aq)': 'kegg:C04256',\n", + " 'UDP-N-acetyl-D-glucosamine(aq)': 'kegg:C00043',\n", + " 'dTTP(aq)': 'kegg:C00459',\n", + " 'dTDPglucose(aq)': 'kegg:C00842',\n", + " 'CDPglucose(aq)': 'kegg:C00501',\n", + " 'GDPglucose(aq)': 'kegg:C00394',\n", + " '[L-glutamate:ammonia ligase(ADP-forming)](aq)': 'kegg:C01281',\n", + " 'adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)': 'kegg:C01299',\n", + " '1-phospho--D-glucuronate(aq)': 'kegg:C05385',\n", + " 'UDP-D-glucuronate(aq)': 'kegg:C00167',\n", + " 'succinyl-CoA(aq)': 'kegg:C00091',\n", + " 'acetoacetate(aq)': 'kegg:C00164',\n", + " 'acetylcholine(aq)': 'kegg:C01996',\n", + " 'retinyl palmitate(aq)': 'kegg:C02588',\n", + " 'retinol(aq)': 'kegg:C00473',\n", + " 'palmitate(aq)': 'kegg:C00249',\n", + " 'acetyl phosphate-2-(aq)': 'kegg:C00227',\n", + " 'acetate-(aq)': 'kegg:C00033',\n", + " 'HPO4-2-(aq)': 'kegg:C00009',\n", + " 'ADP-3-(aq)': 'kegg:C00008',\n", + " 'AMP-2--(aq)': 'kegg:C00020',\n", + " 'D-fructose 1-phosphate(aq)': 'kegg:C01094',\n", + " 'D-galactose 6-phosphate(aq)': 'kegg:C01113',\n", + " '4-nitrophenyl phosphate(aq)': 'kegg:C03360',\n", + " '4-nitrophenol(aq)': 'kegg:C00870',\n", + " 'phenyl phosphate(aq)': 'kegg:C02734',\n", + " 'phenol(aq)': 'kegg:C00146',\n", + " '(R)-3-phosphoglycerate(aq)': 'kegg:C00197',\n", + " 'phosphoenolpyruvate3-(aq)': 'kegg:C00074',\n", + " 'pyruvate-(aq)': 'kegg:C00022',\n", + " 'L-O-phosphoserine(aq)': 'kegg:C01005',\n", + " 'phosphotaurocyamine(aq)': 'kegg:C03149',\n", + " 'D-ribose(aq)': 'kegg:C00121',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00575',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00968',\n", + " \"2'-deoxyadenosine 5'-monophosphate(aq)\": 'kegg:C00360',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00942',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00943',\n", + " \"adenosine 3'-monophosphate(aq)\": 'kegg:C01367',\n", + " 'maltotetraose(aq)': 'kegg:C02052',\n", + " 'isomaltose(aq)': 'kegg:C00252',\n", + " 'isomaltotriose(aq)': 'kegg:C02160',\n", + " 'maltohexaose(aq)': 'kegg:C01936',\n", + " 'maltotriose(aq)': 'kegg:C01835',\n", + " 'panose(aq)': 'kegg:C00713',\n", + " 'palatinose(aq)': 'kegg:C01742',\n", + " 'D-turanose(aq)': 'kegg:C19636',\n", + " '-gentiobiose(aq)': 'kegg:C08240',\n", + " '-D-melibiose(aq)': 'kegg:C05402',\n", + " 'lactulose(aq)': 'kegg:C07064',\n", + " 'ADPribose(aq)': 'kegg:C01882',\n", + " 'L-asparagine(aq)': 'kegg:C00152',\n", + " 'carbamate(aq)': 'kegg:C01563',\n", + " 'urea(aq)': 'kegg:C00086',\n", + " 'cephalothin(aq)': 'kegg:C07761',\n", + " '2-thienylacetic acid(aq)': 'kegg:C02595',\n", + " '7-aminocephalosporanic acid(aq)': 'kegg:C07756',\n", + " 'penicillin G(aq)': 'kegg:C05551',\n", + " '6-aminopenicillanic acid(aq)': 'kegg:C02954',\n", + " 'phenylacetic acid(aq)': 'kegg:C07086',\n", + " 'penicillin G-(aq)': 'kegg:C05551',\n", + " '6-aminopenicillanic acid-(aq)': 'kegg:C02954',\n", + " 'phenoxymethylpenicillin-(aq)': 'kegg:C08126',\n", + " '6-aminopenicillanate-(aq)': 'kegg:C02954',\n", + " 'phenoxyacetate(aq)': 'kegg:C02181',\n", + " 'phenylacetylglycine(aq)': 'kegg:C05598',\n", + " 'N-acetyl-L-methionine(aq)': 'kegg:C02712',\n", + " 'pantothenate': 'kegg:C00864',\n", + " 'H2O': 'kegg:C00001',\n", + " 'pantoic acid': 'kegg:C00522',\n", + " 'N-carbamoyl-L-aspartate(aq)': 'kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq)': 'kegg:C03703',\n", + " 'penicillinoic acid(aq)': 'kegg:C06567',\n", + " 'allantoate(aq)': 'kegg:C00499',\n", + " '(-)-ureidoglycolate(aq)': 'kegg:C00603',\n", + " 'cytidine(aq)': 'kegg:C00475',\n", + " '10-formyltetrahydrofolate(aq)': 'kegg:C00234',\n", + " 'adenylyl sulfate(aq)': 'kegg:C00224',\n", + " 'trimetaphosphate(aq)': 'kegg:C02466',\n", + " 'triphosphate(aq)': 'kegg:C00536',\n", + " '-nicotinamide mononucleotide(aq)': 'kegg:C00455',\n", + " 'ATP-4-(aq)': 'kegg:C00002',\n", + " 'ITP(aq)': 'kegg:C00081',\n", + " 'IDP(aq)': 'kegg:C00104',\n", + " 'diphosphate(aq)': 'kegg:C00013',\n", + " 'phosphate(aq)': 'kegg:C00009',\n", + " 'D-ribulose 1,5-biphosphate(aq)': 'kegg:C01182',\n", + " 'erythrulose 1-phosphate(aq)': 'kegg:C03394',\n", + " 'glycerone phosphate(aq)': 'kegg:C00111',\n", + " '2-deoxy-D-ribose 5-phosphate(aq)': 'kegg:C00673',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq)': 'kegg:C04442',\n", + " 'L-fuculose 1-phosphate(aq)': 'kegg:C01099',\n", + " '(S)-lactaldehyde(aq)': 'kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq)': 'kegg:C06159',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq)': 'kegg:C00684',\n", + " 'L-rhamnulose 1-phosphate(aq)': 'kegg:C01131',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq)': 'kegg:C01286',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq)': 'kegg:C06019',\n", + " 'N-acetylneuraminate(aq)': 'kegg:C00270',\n", + " 'N-acetyl-D-mannosamine(aq)': 'kegg:C00645',\n", + " '4-hydroxy-2-oxoglutarate(aq)': 'kegg:C01127',\n", + " '(S)-2-methylmalate(aq)': 'kegg:C02614',\n", + " '(R,S)-malyl-CoA(aq)': 'kegg:C04348',\n", + " '2,3-dimethylmalate(aq)': 'kegg:C03652',\n", + " 'propanoate(aq)': 'kegg:C00163',\n", + " 'L-tryptophan(aq)': 'kegg:C00078',\n", + " 'indole(aq)': 'kegg:C00463',\n", + " 'cis-aconitate(aq)': 'kegg:C00417',\n", + " '3-dehydroquinate(aq)': 'kegg:C00944',\n", + " '2-phospho-D-glycerate(aq)': 'kegg:C00631',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C03561',\n", + " 'cis-but-2-enoyl-CoA(aq)': 'kegg:C00877',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " 'trans-but-2-enoyl-CoA(aq)': 'kegg:C00877',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)': 'kegg:C05268',\n", + " 'trans-hex-2-enoyl-CoA(aq)': 'kegg:C05271',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq)': 'kegg:C03506',\n", + " '(R)-malate(aq)': 'kegg:C00497',\n", + " 'maleate(aq)': 'kegg:C01384',\n", + " '2-methylfumarate(aq)': 'kegg:C01732',\n", + " '(R)-2-methylmalate(aq)': 'kegg:C02612',\n", + " '2-methylmaleate(aq)': 'kegg:C02226',\n", + " '5-oxo-D-proline(aq)': 'kegg:C02237',\n", + " 'urocanate(aq)': 'kegg:C00785',\n", + " '4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)': 'kegg:C03680',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)': 'kegg:C04618',\n", + " 'cis-but-2-enoyl-[acyl-carrier protein](aq)': 'kegg:C04246',\n", + " '(2R,3S)-2,3-dimethylmalate(aq)': 'kegg:C03652',\n", + " 'dimethylmaleate(aq)': 'kegg:C00922',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " 'L-threo-3-methylaspartate(aq)': 'kegg:C03618',\n", + " 'L-histidine(aq)': 'kegg:C00135',\n", + " 'L-phenylalanine(aq)': 'kegg:C00079',\n", + " 'trans-cinnamate(aq)': 'kegg:C00423',\n", + " 'N-(L-argino)succinate(aq)': 'kegg:C03406',\n", + " 'adenylosuccinate(aq)': 'kegg:C03794',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole\": 'kegg:C04823',\n", + " 'Fumarate': 'kegg:C00122',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\": 'kegg:C04677',\n", + " '(R)-S-lactoylglutathione(aq)': 'kegg:C03451',\n", + " 'glutathione (reduced)(aq)': 'kegg:C00051',\n", + " 'methylglyoxal(aq)': 'kegg:C00546',\n", + " 'L-lysine(aq)': 'kegg:C00047',\n", + " 'D-lysine(aq)': 'kegg:C00739',\n", + " 'L,L-2,6-diaminoheptanedioate(aq)': 'kegg:C00666',\n", + " 'meso-diaminoheptanedioate(aq)': 'kegg:C00680',\n", + " 'trans-4-hydroxy-L-proline(aq)': 'kegg:C01157',\n", + " 'cis-4-hydroxy-D-proline(aq)': 'kegg:C03440',\n", + " 'D-leucine(aq)': 'kegg:C01570',\n", + " 'L-ribulose 5-phosphate(aq)': 'kegg:C01101',\n", + " 'UDP-L-arabinose(aq)': 'kegg:C00935',\n", + " 'UDP-D-xylose(aq)': 'kegg:C00190',\n", + " 'UDP-D-galacturonate(aq)': 'kegg:C00617',\n", + " 'N-acetyl-D-glucosamine(aq)': 'kegg:C00140',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq)': 'kegg:C00357',\n", + " 'N-acetyl-D-mannosamine 6-phosphate(aq)': 'kegg:C04257',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq)': 'kegg:C03598',\n", + " 'CDP-3,6-dideoxy-D-mannose(aq)': 'kegg:C03599',\n", + " 'alpha-D-Glucose 6-phosphate(aq)': 'kegg:C00668',\n", + " 'beta-D-Glucose 6-phosphate(aq)': 'kegg:C01172',\n", + " 'GDP-L-galactose(aq)': 'kegg:C02280',\n", + " '(R)-methylmalonyl-CoA(aq)': 'kegg:C01213',\n", + " '(S)-methylmalonyl-CoA(aq)': 'kegg:C00683',\n", + " 'all-trans-retinal(aq)': 'kegg:C00376',\n", + " '11-cis-retinal(aq)': 'kegg:C02110',\n", + " '9-cis,12-cis-octadecadienoate(aq)': 'kegg:C01595',\n", + " '9-cis,11-trans-octadecadienoate(aq)': 'kegg:C04056',\n", + " 'D-erythrose(aq)': 'kegg:C01796',\n", + " 'D-erythrulose(aq)': 'kegg:C02022',\n", + " 'D-arabinose(aq)': 'kegg:C00216',\n", + " 'L-fucose(aq)': 'kegg:C01019',\n", + " 'L-fuculose(aq)': 'kegg:C01721',\n", + " 'L-arabinose(aq)': 'kegg:C00259',\n", + " 'L-ribulose(aq)': 'kegg:C00508',\n", + " 'D-psicose(aq)': 'kegg:C06468',\n", + " '-D-allose(aq)': 'kegg:C01487',\n", + " 'D-altrose(aq)': 'kegg:C06464',\n", + " 'D-lyxose(aq)': 'kegg:C00476',\n", + " 'D-glucosamine 6-phosphate(aq)': 'kegg:C00352',\n", + " 'D-galacturonate(aq)': 'kegg:C00333',\n", + " 'D-tagaturonate(aq)': 'kegg:C00558',\n", + " 'D-glucuronate(aq)': 'kegg:C00191',\n", + " 'D-fructuronate(aq)': 'kegg:C00905',\n", + " 'D-arabinose 5-phosphate(aq)': 'kegg:C01112',\n", + " 'L-rhamnose(aq)': 'kegg:C00507',\n", + " 'L-rhamnulose(aq)': 'kegg:C00861',\n", + " 'keto-phenylpyruvate(aq)': 'kegg:C00166',\n", + " 'enol-phenylpyruvate(aq)': 'kegg:C02763',\n", + " 'keto-oxaloacetate(aq)': 'kegg:C00036',\n", + " 'enol-oxaloacetate(aq)': 'kegg:C03981',\n", + " 'isopentenyl diphosphate(aq)': 'kegg:C00129',\n", + " 'dimethylallyl diphosphate(aq)': 'kegg:C00235',\n", + " 'methylitaconate(aq)': 'kegg:C02295',\n", + " 'D-glucosamine 1-phosphate(aq)': 'kegg:C06156',\n", + " 'D-glucose 1,6-diphosphate(aq)': 'kegg:C01231',\n", + " '-D-glucose 6-phosphate(aq)': 'kegg:C00092',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq)': 'kegg:C04256',\n", + " '(3S)-3,6-diaminohexanoate(aq)': 'kegg:C01142',\n", + " 'D-ornithine(aq)': 'kegg:C00515',\n", + " 'D-threo-2,4-diaminopentanoate(aq)': 'kegg:C03943',\n", + " '2-methyleneglutarate(aq)': 'kegg:C02930',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq)': 'kegg:C04105',\n", + " 'cis-cis-hexadienedioate(aq)': 'kegg:C02480',\n", + " 'tetrahydroxypteridine(aq)': 'kegg:C03178',\n", + " 'xanthine-8-carboxylate(aq)': 'kegg:C03314',\n", + " 'L-valine': 'kegg:C00183',\n", + " 'tRNA(Val)': 'kegg:C01653',\n", + " 'AMP': 'kegg:C00020',\n", + " 'diphosphate': 'kegg:C00013',\n", + " 'L-Valyl-tRNA(Val)': 'kegg:C02554',\n", + " 'propanonyl-CoA(aq)': 'kegg:C00100',\n", + " 'L-arginosuccinate(aq)': 'kegg:C03406',\n", + " 'D-arabitol(aq)': 'kegg:C01904',\n", + " 'D-carnitine(aq)': 'kegg:C15025',\n", + " 'prostaglandin E2(aq)': 'kegg:C00584',\n", + " '15-oxo-prostaglandin E2(aq)': 'kegg:C04707',\n", + " 'H2O2(aq)': 'kegg:C00027',\n", + " 'cholesterol(aq)': 'kegg:C00187',\n", + " 'cholest-4-en-3-one(aq)': 'kegg:C00599',\n", + " '1/2 O2(aq)': '0.5 kegg:C00007',\n", + " 'prephenate(aq)': 'kegg:C00254',\n", + " '4-hydroxyphenylpyruvate(aq)': 'kegg:C01179',\n", + " 'lipoate(aq)': 'kegg:C00725',\n", + " 'S-aminomethyldihydro--lipoate(aq)': 'metanetx.chemical:MNXM39260',\n", + " 'urate(aq)': 'kegg:C00366',\n", + " 'allantoin(aq)': 'kegg:C01551',\n", + " 'dodecanal(aq)': 'kegg:C02278',\n", + " 'FMN(reduced)': 'kegg:C01847',\n", + " 'dodecanoic acid(aq)': 'kegg:C02679',\n", + " 'FMN(oxidized)': 'kegg:C00061',\n", + " '(+)-camphor(aq)': 'kegg:C00808',\n", + " '(+)-5-exo-hydroxycamphor(aq)': 'kegg:C03448',\n", + " 'CH2-H4PteGlu4(aq)': 'kegg:C04377',\n", + " 'H4PteGlu4(aq)': 'kegg:C01217',\n", + " 'O-acetyl-L-serine(aq)': 'kegg:C00979',\n", + " 'phenylpyruvate(aq)': 'kegg:C00166',\n", + " 'L-tyrosine(aq)': 'kegg:C00082',\n", + " '4-methyl-2-oxopentanooate(aq)': 'kegg:C00233',\n", + " '3-aminopropionaldehyde(aq)': 'kegg:C05665',\n", + " '1,3-diaminopropane(aq)': 'kegg:C00986',\n", + " '-isomaltose(aq)': 'kegg:C00252',\n", + " 'amoxicillin(aq)': 'kegg:C06827',\n", + " 'D-4-hydroxyphenylglycine(aq)': 'kegg:C03493',\n", + " 'N-glycolylneuraminate(aq)': 'kegg:C03410',\n", + " 'N-glycolyl-D-mannosamine(aq)': 'kegg:C03521',\n", + " 'chorismate(aq)': 'kegg:C00251',\n", + " '4-hydroxybenzoate(aq)': 'kegg:C00156',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq)': 'kegg:C06322',\n", + " '6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)': 'kegg:C06749',\n", + " 'H2o(l)': 'kegg:C00001',\n", + " '4-amino-4-deoxychorismate(aq)': 'kegg:C11355',\n", + " 'isochorismate(aq)': 'kegg:C00885',\n", + " '2-amino-2-deoxyisochorismate(aq)': 'kegg:C18054',\n", + " 'NADP(ox)(aq)': 'kegg:C00006',\n", + " 'NADP(red)(aq)': 'kegg:C00005',\n", + " 'D-mannitol-1-phosphate(aq)': 'kegg:C00644',\n", + " 'NAD(ox)(aq)': 'kegg:C00003',\n", + " 'NAD(red)(aq)': 'kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq)': 'kegg:C05984',\n", + " 'pyridoxine(aq)': 'kegg:C00314',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)': 'kegg:C05662',\n", + " 'NAD(ox)': 'kegg:C00003',\n", + " 'NAD(red)': 'kegg:C00004',\n", + " '(R)-pantoate(aq)': 'kegg:C00522',\n", + " 'NADP(ox)': 'kegg:C00006',\n", + " '2-dehydropantoate(aq)': 'kegg:C00966',\n", + " '2-keto-L-gulonate(aq)': 'kegg:C15673',\n", + " '2,5-diketo-D-gluconate(aq)': 'kegg:C02780',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine': 'kegg:C00449',\n", + " 'glutathoine(red)(aq)': '2 kegg:C00051',\n", + " 'glutathoine(ox)(aq)': 'kegg:C00127',\n", + " 'O2-': '2 kegg:C00704',\n", + " 'O2': 'kegg:C00007',\n", + " 'H2O2': 'kegg:C00027',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq)': 'kegg:C04688',\n", + " 'acyl-carrier-protein(aq)': 'kegg:C03688',\n", + " 'UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)': 'kegg:C04738',\n", + " 'corrinoid protein(aq)': 'kegg:C06021',\n", + " 'carbon monoxide(aq)': 'kegg:C00237',\n", + " 'methylcorrinoid protein(aq)': 'kegg:C06020',\n", + " \"'-deoxyinosine(aq)\": 'kegg:C05512',\n", + " \"orotidine 5 '-phosphate(aq)\": 'kegg:C01103',\n", + " 'Nicotinate D-ribonucleotide(aq)': 'kegg:C01185',\n", + " 'nicotinic acid(aq)': 'kegg:C00253',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)': 'kegg:C00119',\n", + " \"'-methylthioadenosine(aq)\": 'kegg:C00170',\n", + " '5-methylthio-D-ribose 1-phosphate(aq)': 'kegg:C04188',\n", + " '(2-aminoethyl)phosphonate(aq)': 'kegg:C03557',\n", + " '2-phosphonoacetaldehyde(aq)': 'kegg:C03167',\n", + " '2-oxoisocaproate(aq)': 'kegg:C00233',\n", + " 'L-valine(aq)': 'kegg:C00183',\n", + " '2-oxovalerate(aq)': 'kegg:C06255',\n", + " 'myosin light chain(aq)': 'kegg:C01003',\n", + " 'myosin light chain phosphate(aq)': 'kegg:C03875',\n", + " 'Nomega-phospho-L-arginine(aq)': 'kegg:C05945',\n", + " 'adenylylsulfate(aq)': 'kegg:C00224',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq)\": 'kegg:C00942',\n", + " \"guanosine 5 '-phosphate(aq)\": 'kegg:C00144',\n", + " 'D-(4-hydroxyphenyl)glycine(aq)': 'kegg:C03493',\n", + " 'N-acetyl-L-phenylalanine(aq)': 'kegg:C03519',\n", + " 'anandamide(aq)': 'kegg:C11695',\n", + " 'ethanolamine(aq)': 'kegg:C00189',\n", + " 'arachidonic acid(aq)': 'kegg:C00219',\n", + " 'palmitoylethanolamide(aq)': 'kegg:C16512',\n", + " 'palmitic acid(aq)': 'kegg:C00249',\n", + " '5,6-dihydrouracil(aq)': 'kegg:C00429',\n", + " '3-ureidopropanoic acid(aq)': 'kegg:C02642',\n", + " '((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)': 'kegg:C05922',\n", + " 'benzonitrile(aq)': 'kegg:C09814',\n", + " 'H2O(aq)': '2 kegg:C00001',\n", + " 'benzoic acid(aq)': 'kegg:C00180',\n", + " 'benzyl cyanide(aq)': 'kegg:C16074',\n", + " '3-indoleacetonitrile(aq)': 'kegg:C02938',\n", + " 'indole-3-acetic acid(aq)': 'kegg:C00954',\n", + " 'D-ribulose 1,5-bisphosphate(aq)': 'kegg:C01182',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq)': 'kegg:C04691',\n", + " '2-oxo-3-deoxy-D-gluconate(aq)': 'kegg:C00204',\n", + " 'anthranilate(aq)': 'kegg:C00108',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)': 'kegg:C01144',\n", + " 'trans-but-2-enoyl-coenzyme A': 'kegg:C00877',\n", + " '4-(trimethylammonio)but-2-enoate(aq)': 'kegg:C04114',\n", + " 'UDP-N-acetyl-D-galactosamine(aq)': 'kegg:C00203',\n", + " 'D-threose(aq)': 'kegg:C06463',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq)': 'kegg:C05439',\n", + " '(3,5)-cholesta-8,24-diene-3-ol(aq)': 'kegg:C05437',\n", + " '3-phosphonopyruvate(aq)': 'kegg:C02798',\n", + " 'tRNA-Tyr(aq)': 'kegg:C00787',\n", + " 'L-tyrosyl-tRNA-Tyr(aq)': 'kegg:C02839',\n", + " 'tRNA-Thr(aq)': 'kegg:C01651',\n", + " 'L-threonyl-tRNA-Thr(aq)': 'kegg:C02992',\n", + " 'L-isoleusine(aq)': 'kegg:C00407',\n", + " 'tRNA-Ile(aq)': 'kegg:C01644',\n", + " 'L-isoleucyl-tRNA-Ile(aq)': 'kegg:C03127',\n", + " 'tRNA-Lys(aq)': 'kegg:C01646',\n", + " 'L-lysyl-tRNA-Lys(aq)': 'kegg:C01931',\n", + " 'tRNA-Ser(aq)': 'kegg:C01650',\n", + " 'L-seryl-tRNA-Ser(aq)': 'kegg:C02553',\n", + " 'tRNA-Arg(aq)': 'kegg:C01636',\n", + " 'L-arginyl-tRNA-Arg(aq)': 'kegg:C02163',\n", + " 'tRNA-Phe(aq)': 'kegg:C01648',\n", + " 'L-phenylalanyl-tRNA-Phe(aq)': 'kegg:C03511',\n", + " 'tRNA-His(aq)': 'kegg:C01643',\n", + " 'L-histidyl-tRNA-His(aq)': 'kegg:C02988',\n", + " 'NAD+(aq)': 'kegg:C00003',\n", + " 'THF(aq)': 'kegg:C00101',\n", + " '5,10-CH2-THF(aq)': 'kegg:C00143',\n", + " 'NH3(aq)': 'kegg:C00014',\n", + " 'CO2(aq)': 'kegg:C00288',\n", + " 'Aminoimidazole ribotide': 'kegg:C03373',\n", + " 'CO2': 'kegg:C00288',\n", + " '1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate': 'kegg:C04751',\n", + " '10-Formyltetrahydrofolate': 'kegg:C00234',\n", + " 'Tetrahydrofolate': 'kegg:C00101',\n", + " \"1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\": 'kegg:C04734',\n", + " 'D-Ribulose 5-phosphate': 'kegg:C00199',\n", + " 'Formaldehyde': 'kegg:C00067',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate': 'kegg:C06019',\n", + " 'D-Fructose 6-phosphate': 'kegg:C00085',\n", + " ',-trehalose 6-phosphate(aq)': 'kegg:C00689'}" + ] + }, + "execution_count": 27, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "cpid" + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "id": "def8818c", + "metadata": {}, + "outputs": [], + "source": [ + "inv_cpid = {}\n", + "for k, v in cpid.items():\n", + " inv_cpid[v] = inv_cpid.get(v, []) + [k]" + ] + }, + { + "cell_type": "code", + "execution_count": 29, + "id": "ec0181c2", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "{'kegg:C00556': ['benzyl alcohol(aq)'],\n", + " 'kegg:C00003': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)'],\n", + " 'kegg:C00261': ['benzaldehyde(aq)'],\n", + " 'kegg:C00004': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'],\n", + " 'kegg:C06142': ['1-butanol(aq)'],\n", + " 'kegg:C01412': ['butanal(aq)'],\n", + " 'kegg:C00854': ['cyclohexanol(aq)'],\n", + " 'kegg:C00414': ['cyclohexanone(aq)'],\n", + " 'kegg:C00469': ['ethanol(aq)'],\n", + " 'kegg:C00084': ['acetaldehyde(aq)'],\n", + " 'COCO:COCOM00012': ['AP-NAD(aq)'],\n", + " 'COCO:COCOM00013': ['AP-NADH(aq)'],\n", + " 'kegg:C08492': ['cis-3-hexene-1-ol(aq)'],\n", + " 'kegg:C16310': ['cis-3-hexenal(aq)'],\n", + " 'kegg:C00756': ['1-octanol(aq)'],\n", + " 'kegg:C01545': ['octanal(aq)'],\n", + " 'kegg:C05979': ['1-propanol(aq)'],\n", + " 'kegg:C00479': ['propanal(aq)'],\n", + " 'kegg:C01845': ['2-propanol(aq)'],\n", + " 'kegg:C00207': ['acetone(aq)'],\n", + " 'kegg:C00473': ['vitamin A alcohol(aq)', 'retinol(aq)'],\n", + " 'kegg:C00376': ['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)'],\n", + " 'kegg:C00263': ['L-homoserine(aq)'],\n", + " 'kegg:C00441': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)'],\n", + " 'kegg:C00006': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)'],\n", + " 'kegg:C00005': ['NADPH(aq)', 'NADP(red)(aq)'],\n", + " 'kegg:C03044': ['(R,R)-2,3-butanediol(aq)'],\n", + " 'kegg:C00810': ['(R)-acetoin(aq)'],\n", + " 'kegg:C00116': ['glycerol(aq)'],\n", + " 'kegg:C00184': ['dihydroxyacetone(aq)'],\n", + " 'kegg:C00093': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate'],\n", + " 'kegg:C00111': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)'],\n", + " 'kegg:C01507': ['L-iditol(aq)'],\n", + " 'kegg:C00247': ['L-sorbose(aq)'],\n", + " 'kegg:C00474': ['ribitol(aq)'],\n", + " 'kegg:C00309': ['D-ribulose(aq)'],\n", + " 'kegg:C00794': ['D-sorbitol(aq)'],\n", + " 'kegg:C00095': ['D-fructose(aq)'],\n", + " 'kegg:C00379': ['xylitol(aq)'],\n", + " 'kegg:C00310': ['D-xylulose(aq)'],\n", + " 'kegg:C00312': ['L-xylulose(aq)'],\n", + " 'kegg:C01697': ['galactitol(aq)'],\n", + " 'kegg:C00795': ['D-tagatose(aq)'],\n", + " 'kegg:C00392': ['D-mannitol(aq)'],\n", + " 'kegg:C00644': ['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)'],\n", + " 'kegg:C00085': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate'],\n", + " 'kegg:C00181': ['D-xylose(aq)'],\n", + " 'kegg:C00296': ['quinate(aq)'],\n", + " 'kegg:C00944': ['5-dehydroquinate(aq)', '3-dehydroquinate(aq)'],\n", + " 'kegg:C00493': ['shikimate(aq)'],\n", + " 'kegg:C02637': ['3-dehydroshikimate(aq)'],\n", + " 'kegg:C00258': ['(R)-glycerate(aq)'],\n", + " 'kegg:C00168': ['hydroxypyruvate(aq)'],\n", + " 'kegg:C00160': ['glycolate(aq)'],\n", + " 'kegg:C00048': ['glyoxylate(aq)'],\n", + " 'kegg:C05984': ['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)'],\n", + " 'kegg:C00109': ['2-oxobutanoate(aq)'],\n", + " 'kegg:C00186': ['(S)-lactate(aq)'],\n", + " 'kegg:C00022': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)'],\n", + " 'kegg:C00256': ['(R)-lactate(aq)'],\n", + " 'kegg:C01089': ['(R)-3-hydroxybutanoate(aq)'],\n", + " 'kegg:C00164': ['3-oxobutanoate(aq)', 'acetoacetate(aq)'],\n", + " 'kegg:C01188': ['3-hydroxy-2-methylpropanoate(aq)'],\n", + " 'kegg:C00349': ['2-methyl-3-oxopropanoate(aq)'],\n", + " 'kegg:C01144': ['(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)'],\n", + " 'kegg:C00332': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)'],\n", + " 'kegg:C05268': ['(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)'],\n", + " 'kegg:C05269': ['3-oxohexanoyl-CoA(aq)'],\n", + " 'kegg:C00149': ['(S)-malate(aq)'],\n", + " 'kegg:C00036': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)'],\n", + " 'kegg:C00552': ['meso-tartrate(aq)'],\n", + " 'kegg:C00975': ['(E)-dihydroxyfumarate(aq)'],\n", + " 'kegg:C03459': ['2-oxo-3-hydroxysuccinate(aq)',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)'],\n", + " 'kegg:C00025': ['L-glutamate(aq)'],\n", + " 'kegg:C00049': ['L-aspartate(aq)'],\n", + " 'kegg:C00026': ['2-oxoglutarate(aq)'],\n", + " 'kegg:C00024': ['acetyl-CoA(aq)'],\n", + " 'kegg:C00001': ['H2O(l)', 'H2O', 'H2o(l)'],\n", + " 'kegg:C00158': ['citrate(aq)'],\n", + " 'kegg:C00010': ['CoA(aq)'],\n", + " 'kegg:C00288': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2'],\n", + " 'kegg:C00311': ['isocitrate(aq)'],\n", + " 'kegg:C00345': ['6-phospho-D-gluconate(aq)'],\n", + " 'kegg:C00199': ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate'],\n", + " 'kegg:C00031': ['-D-glucose(aq)', 'D-glucose(aq)'],\n", + " 'kegg:C00198': ['D-glucono-1,5-lactone(aq)'],\n", + " 'kegg:C00124': ['D-galactose(aq)'],\n", + " 'kegg:C03383': ['D-galactono-1,4-lactone(aq)'],\n", + " 'kegg:C00092': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)'],\n", + " 'kegg:C01236': ['D-glucono-1,5-lactone 6-phosphate(aq)'],\n", + " 'kegg:C00535': ['4-androstene-17-ol-3-one(aq)'],\n", + " 'kegg:C00280': ['4-androstene-3,17-dione(aq)'],\n", + " 'kegg:C00583': ['1,2-propanediol(aq)'],\n", + " 'kegg:C00424': ['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)'],\n", + " 'kegg:C01013': ['3-hydroxypropanoate(aq)'],\n", + " 'kegg:C00222': ['3-oxopropanoate(aq)', '3-oxopropanoate'],\n", + " 'kegg:C01146': ['2-hydroxy-3-oxopropanoate(aq)'],\n", + " 'kegg:C00989': ['4-hydroxybutanoate(aq)'],\n", + " 'kegg:C00232': ['4-oxobutanoate(aq)'],\n", + " 'kegg:C00951': ['estradiol-17(aq)'],\n", + " 'kegg:C00468': ['estrone(aq)'],\n", + " 'kegg:C00577': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)'],\n", + " 'kegg:C00197': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)'],\n", + " 'kegg:C03232': ['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)'],\n", + " 'kegg:C04367': ['-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)'],\n", + " 'kegg:C01244': ['-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)'],\n", + " 'kegg:C03351': ['3-hydroxybenzyl alcohol(aq)'],\n", + " 'kegg:C03067': ['3-hydroxybenzaldehyde(aq)'],\n", + " 'kegg:C00318': ['L-carnitine(aq)'],\n", + " 'kegg:C02636': ['3-dehydrocarnitine(aq)'],\n", + " 'kegg:C02043': ['indole-3-lactate(aq)'],\n", + " 'kegg:C00331': ['indole-3-pyruvate(aq)'],\n", + " 'kegg:C00273': ['5-dehydro-D-fructose(aq)'],\n", + " 'kegg:C02782': ['2-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C03926': ['2-deoxy-3-dehydro-D-gluconate(aq)'],\n", + " 'kegg:C01620': ['L-threonate(aq)'],\n", + " 'kegg:C03064': ['3-oxo-L-threonate(aq)'],\n", + " 'kegg:C01096': ['D-sorbitol 6-phosphate(aq)'],\n", + " 'kegg:C04741': ['prostaglandin E1(aq)'],\n", + " 'kegg:C04654': ['15-oxo-prostaglandin E1(aq)'],\n", + " 'kegg:C02953': ['7,8-dihydrobiopterin(aq)'],\n", + " 'kegg:C00835': ['sepiapterin(aq)'],\n", + " 'kegg:C00590': ['coniferyl alcohol(aq)'],\n", + " 'kegg:C02666': ['coniferyl aldehyde(aq)'],\n", + " 'kegg:C01087': ['(R)-2-hydroxyglutarate(aq)'],\n", + " 'kegg:C00257': ['D-gluconate(aq)'],\n", + " 'kegg:C06473': ['2-oxo-D-gluconate(aq)'],\n", + " 'kegg:C00243': ['lactose(aq)'],\n", + " '4 kegg:C00125': ['cytochrome c(aq)'],\n", + " 'kegg:C05403': ['3-oxolactose(aq)'],\n", + " '4 kegg:C00126': ['reduced cytochrome c(aq)'],\n", + " 'kegg:C00058': ['formate(aq)'],\n", + " 'kegg:C00009': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)'],\n", + " 'kegg:C03082': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)'],\n", + " 'kegg:C00118': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)'],\n", + " 'kegg:C00236': ['3-phospho-D-glyceroyl phosphate(aq)'],\n", + " 'kegg:C00008': ['ADP(aq)', 'ADP-3-(aq)'],\n", + " 'kegg:C00002': ['ATP(aq)', 'ATP', 'ATP-4-(aq)'],\n", + " 'kegg:C00313': ['oxalyl-CoA(aq)'],\n", + " 'kegg:C00042': ['succinate(aq)'],\n", + " 'kegg:C00007': ['O2(aq)', 'O2'],\n", + " 'kegg:C00122': ['fumarate(aq)', 'Fumarate'],\n", + " 'kegg:C00337': ['(S)-dihydroorotate(aq)'],\n", + " 'kegg:C00295': ['orotate(aq)'],\n", + " 'kegg:C00041': ['L-alanine(aq)', 'L-alanine'],\n", + " 'kegg:C00014': ['ammonia(aq)', 'NH3(aq)'],\n", + " 'kegg:C00123': ['L-leucine(aq)'],\n", + " 'kegg:C00233': ['4-methyl-2-oxopentanoate(aq)',\n", + " '4-methyl-2-oxopentanooate(aq)',\n", + " '2-oxoisocaproate(aq)'],\n", + " 'kegg:C01186': ['L-erythro-3,5-diaminohexanoate(aq)'],\n", + " 'kegg:C03656': ['(S)-5-amino-3-oxohexanoate(aq)'],\n", + " 'kegg:C03943': ['2,4-diaminopentanoate(aq)',\n", + " 'D-threo-2,4-diaminopentanoate(aq)'],\n", + " 'kegg:C03341': ['2-amino-4-oxopentanoate(aq)'],\n", + " 'kegg:C00148': ['(S)-proline(aq)'],\n", + " 'kegg:C03564': ['D-1-pyrroline-2-carboxylate(aq)'],\n", + " 'kegg:C03912': ['D-1-pyrroline-5-carboxylate(aq)',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)'],\n", + " 'kegg:C00415': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)'],\n", + " 'kegg:C00504': ['folate(aq)'],\n", + " 'kegg:C00101': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate'],\n", + " 'kegg:C00143': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)'],\n", + " 'kegg:C00445': ['5,10-methenyltetrahydrofolate(aq)'],\n", + " 'kegg:C04137': ['N-2-(D-1-carboxyethyl)-L-arginine(aq)'],\n", + " 'kegg:C00062': ['L-arginine(aq)'],\n", + " 'kegg:C03210': [\"2,2'-iminodipropanoate(aq)\"],\n", + " 'kegg:C00408': ['L-pipecolate(aq)'],\n", + " 'kegg:C04092': ['D-1-piperidine-2-carboxylate(aq)'],\n", + " '2 kegg:C00051': ['reduced glutathione(aq)', 'glutathoine(red)(aq)'],\n", + " 'kegg:C00127': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)'],\n", + " 'kegg:C00342': ['reduced thioredoxin(aq)'],\n", + " 'kegg:C00343': ['oxidized thioredoxin(aq)'],\n", + " 'kegg:C00440': ['5-methyltetrahydrofolate(aq)'],\n", + " 'kegg:C00016': ['flavin-adenine dinucleotide(aq)'],\n", + " 'kegg:C01352': ['reduced flavin-adenine dinucleotide(aq)'],\n", + " 'kegg:C00579': ['dihydrolipoamide(aq)'],\n", + " 'kegg:C00248': ['lipoamide(aq)'],\n", + " 'kegg:C02147': ['dihydro--lipoate(aq)'],\n", + " 'kegg:C00725': ['-lipoate(aq)', 'lipoate(aq)'],\n", + " 'kegg:C00920': ['CoA-glutathione(aq)'],\n", + " 'kegg:C00282': ['H2(aq)'],\n", + " 'kegg:C00719': ['betaine(aq)'],\n", + " 'kegg:C00155': ['L-homocysteine(aq)'],\n", + " 'kegg:C01026': ['N,N-dimethylglycine(aq)'],\n", + " 'kegg:C00073': ['L-methionine(aq)'],\n", + " 'kegg:C03392': ['dimethylacetothetin(aq)'],\n", + " 'kegg:C03173': ['S-methylthioglycolate(aq)'],\n", + " 'kegg:C01008': ['trimethylsulfonium(aq)'],\n", + " 'kegg:C00580': ['dimethylsulfide(aq)'],\n", + " 'kegg:C00019': ['S-adenosyl-L-methionine(aq)'],\n", + " 'kegg:C00021': ['S-adenosyl-L-homocysteine(aq)'],\n", + " 'kegg:C00365': ['dUMP(aq)'],\n", + " 'kegg:C00364': ['dTMP(aq)'],\n", + " 'kegg:C00037': ['glycine(aq)'],\n", + " 'kegg:C00188': ['L-threonine(aq)'],\n", + " 'kegg:C00067': ['formaldehyde(aq)', 'Formaldehyde'],\n", + " 'kegg:C00065': ['L-serine(aq)'],\n", + " 'kegg:C00664': ['5-formiminotetrahydrofolate(aq)'],\n", + " 'kegg:C02718': ['N-formiminoglycine(aq)'],\n", + " 'kegg:C00439': ['N-formimino-L-glutamate(aq)'],\n", + " 'kegg:C03059': ['2-hydroxymethylserine(aq)'],\n", + " 'kegg:C00740': ['D-serine(aq)'],\n", + " 'kegg:C02115': ['2-methylserine(aq)'],\n", + " 'kegg:C00133': ['D-alanine(aq)'],\n", + " 'kegg:C00100': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)'],\n", + " 'kegg:C02557': ['methylmalonyl-CoA(aq)'],\n", + " 'kegg:C00169': ['carbamoyl phosphate(aq)'],\n", + " 'kegg:C00077': ['L-ornithine(aq)'],\n", + " 'kegg:C00327': ['L-citrulline(aq)'],\n", + " 'kegg:C00581': ['guanidinoacetate(aq)'],\n", + " 'kegg:C00279': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)'],\n", + " 'kegg:C00231': ['D-xylulose 5-phosphate(aq)'],\n", + " 'kegg:C00266': ['glycolaldehyde(aq)'],\n", + " 'kegg:C02045': ['L-erythrulose(aq)'],\n", + " 'kegg:C05382': ['sedoheptulose 7-phosphate(aq)'],\n", + " 'kegg:C00117': ['D-ribose 5-phosphate(aq)'],\n", + " 'kegg:C00227': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)'],\n", + " 'kegg:C01589': ['imidazole(aq)'],\n", + " 'kegg:C02560': ['N-acetylimidazole(aq)'],\n", + " 'kegg:C00114': ['choline(aq)'],\n", + " 'kegg:C01996': ['O-acetylcholine(aq)', 'acetylcholine(aq)'],\n", + " 'kegg:C02571': ['L-acetylcarnitine(aq)'],\n", + " 'kegg:C03017': ['L-propionylcarnitine(aq)'],\n", + " 'kegg:C00798': ['formyl-CoA(aq)'],\n", + " 'kegg:C02405': ['formyl phosphate(aq)'],\n", + " 'kegg:C00033': ['acetate(aq)', 'acetate-(aq)'],\n", + " 'kegg:C00154': ['palmitoyl-CoA(aq)'],\n", + " 'kegg:C02990': ['L-palmitoylcarnitine(aq)'],\n", + " 'kegg:C00437': ['N-2-acetyl-L-ornithine(aq)'],\n", + " 'kegg:C00624': ['N-acetyl-L-glutamate(aq)'],\n", + " 'kegg:C00229': ['acyl-carrier protein(aq)'],\n", + " 'kegg:C03939': ['acetyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00083': ['malonyl-CoA(aq)'],\n", + " 'kegg:C01209': ['malonyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00089': ['sucrose(aq)'],\n", + " 'kegg:C00103': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)'],\n", + " 'kegg:C00208': ['maltose(aq)'],\n", + " 'kegg:C00498': ['ADPglucose(aq)'],\n", + " 'kegg:C00029': ['UDPglucose(aq)', 'UDP-glucose'],\n", + " '2 kegg:C00015': ['UDP(aq)'],\n", + " 'kegg:C16688': ['sucrose 6-phosphate(aq)'],\n", + " 'kegg:C00015': ['UDP'],\n", + " 'kegg:C00689': [\"alpha,alpha'-trehalose 6-phosphate\",\n", + " ',-trehalose 6-phosphate(aq)'],\n", + " 'kegg:C00185': ['cellobiose(aq)'],\n", + " 'kegg:C06219': ['cellotriose(aq)'],\n", + " 'kegg:C02048': ['laminaribiose(aq)'],\n", + " 'kegg:C01083': [',-trehalose(aq)'],\n", + " 'kegg:C01235': ['1--D-galactosyl-myo-inositol(aq)'],\n", + " 'kegg:C00492': ['raffinose(aq)'],\n", + " 'kegg:C00137': ['myo-inositol(aq)'],\n", + " 'kegg:C01613': ['stachyose(aq)'],\n", + " 'kegg:C00482': ['sinapate(aq)'],\n", + " 'kegg:C01175': ['1-sinapoyl-D-glucose(aq)'],\n", + " 'kegg:C00212': ['adenosine(aq)'],\n", + " 'kegg:C00147': ['adenine(aq)'],\n", + " 'kegg:C00620': ['D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C05512': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"],\n", + " 'kegg:C00262': ['hypoxanthine(aq)'],\n", + " 'kegg:C00672': ['2-deoxy--D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C00387': ['guanosine(aq)'],\n", + " 'kegg:C00242': ['guanine(aq)'],\n", + " 'kegg:C00294': ['inosine(aq)'],\n", + " 'kegg:C00153': ['nicotinamide(aq)'],\n", + " 'kegg:C03150': ['nicotinamide riboside(aq)'],\n", + " 'kegg:C01762': ['xanthosine(aq)'],\n", + " 'kegg:C00385': ['xanthine(aq)'],\n", + " 'kegg:C00299': ['uridine(aq)'],\n", + " 'kegg:C00106': ['uracil(aq)'],\n", + " 'kegg:C00214': ['thymidine(aq)'],\n", + " 'kegg:C00559': [\"2'-deoxyadenosine(aq)\"],\n", + " 'kegg:C00178': ['thymine(aq)'],\n", + " 'kegg:C00119': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)'],\n", + " 'kegg:C00020': ['AMP(aq)', 'AMP-2--(aq)', 'AMP'],\n", + " 'kegg:C00013': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate'],\n", + " 'kegg:C00144': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"],\n", + " 'kegg:C00130': ['IMP(aq)'],\n", + " 'kegg:C01103': [\"orotidine 5'-phosphate(aq)\", \"orotidine 5 '-phosphate(aq)\"],\n", + " 'kegg:C04752': ['2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq)'],\n", + " 'kegg:C04327': ['4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq)'],\n", + " 'kegg:C01081': ['thiamine monophosphate(aq)'],\n", + " 'kegg:C19838': ['erythro-3-hydroxyaspartate(aq)'],\n", + " 'kegg:C01100': ['L-histidinol phosphate(aq)'],\n", + " 'kegg:C01267': ['3-(imidazol-4-yl)-2-oxopropyl phosphate(aq)'],\n", + " 'kegg:C00064': ['L-glutamine(aq)'],\n", + " 'kegg:C00940': ['2-oxoglutaramate(aq)'],\n", + " 'kegg:C04462': ['N-succinyl-2-L-amino-6-oxoheptanedioate(aq)'],\n", + " 'kegg:C04421': ['N-succinyl-L-2,6-diaminoheptanedioate(aq)'],\n", + " 'kegg:C00099': ['beta-alanine'],\n", + " 'kegg:C00334': ['4-aminobutanoate(aq)'],\n", + " 'kegg:C00217': ['D-glutamate(aq)'],\n", + " 'kegg:C00534': ['pyridoxamine(aq)'],\n", + " 'kegg:C00250': ['pyridoxal(aq)'],\n", + " 'kegg:C04268': ['dTDP-4-amino-4,6-dideoxy-D-glucose(aq)'],\n", + " 'kegg:C11907': ['dTDP-4-dehydro-6-deoxy-D-glucose(aq)'],\n", + " 'kegg:C00956': ['L-2-aminoadipate(aq)'],\n", + " 'kegg:C00322': ['2-oxoadipate(aq)'],\n", + " 'kegg:C01005': ['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)'],\n", + " 'kegg:C00159': ['D-mannose(aq)'],\n", + " 'kegg:C00275': ['D-mannose 6-phosphate(aq)'],\n", + " 'kegg:C03384': ['D-galactose 1-phosphate(aq)',\n", + " '-D-galactose 1-phosphate(aq)'],\n", + " 'kegg:C00354': ['D-fructose 1,6-bisphosphate(aq)'],\n", + " 'kegg:C00882': [\"3'-dephospho-CoA(aq)\"],\n", + " 'kegg:C00074': ['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)'],\n", + " 'kegg:C01194': ['1-phosphatidyl-1D-myo-inositol(aq)'],\n", + " 'kegg:C01277': ['1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'],\n", + " 'kegg:C01563': ['ammonium carbamate(aq)', 'carbamate(aq)'],\n", + " 'kegg:C03166': ['phosphoguanidinoacetate(aq)'],\n", + " 'kegg:C00300': ['creatine(aq)'],\n", + " 'kegg:C02305': ['phosphocreatine(aq)'],\n", + " 'kegg:C05945': ['N-w-phospho-L-arginine(aq)',\n", + " 'Nomega-phospho-L-arginine(aq)'],\n", + " 'kegg:C01959': ['taurocyamine(aq)'],\n", + " 'kegg:C03149': ['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)'],\n", + " 'kegg:C14177': ['lombricine(aq)'],\n", + " 'kegg:C14178': ['N-w-phospholombricine(aq)'],\n", + " 'kegg:C01107': ['(R)-5-phosphomevalonate(aq)'],\n", + " 'kegg:C01143': ['(R)-5-diphosphomevalonate(aq)'],\n", + " '2 kegg:C00206': ['dADP(aq)'],\n", + " 'kegg:C00360': ['dAMP(aq)', \"2'-deoxyadenosine 5'-monophosphate(aq)\"],\n", + " 'kegg:C00131': ['dATP(aq)'],\n", + " 'kegg:C03483': [\"adenosine 5'-tetraphosphate(aq)\"],\n", + " 'kegg:C00075': ['UTP(aq)'],\n", + " 'kegg:C00105': ['UMP(aq)'],\n", + " 'kegg:C00104': [\"inosine 5'-diphosphate(aq)\", 'IDP(aq)'],\n", + " 'kegg:C00081': [\"inosine 5'-triphosphate(aq)\", 'ITP(aq)'],\n", + " 'kegg:C00035': ['GDP(aq)'],\n", + " 'kegg:C00044': ['GTP(aq)'],\n", + " 'kegg:C00362': ['dGMP(aq)'],\n", + " 'kegg:C00361': ['dGDP(aq)'],\n", + " 'kegg:C00363': ['dTDP(aq)'],\n", + " 'kegg:C00055': ['CMP(aq)'],\n", + " 'kegg:C00112': ['CDP(aq)'],\n", + " 'kegg:C00239': ['dCMP(aq)'],\n", + " 'kegg:C00705': ['dCDP(aq)'],\n", + " 'kegg:C00455': ['beta-Nicotinamide mononucleotide',\n", + " '-nicotinamide mononucleotide(aq)'],\n", + " 'kegg:C00059': ['sulfate(aq)'],\n", + " 'kegg:C00224': [\"adenosine 5'-phosphosulfate(aq)\",\n", + " 'adenylyl sulfate(aq)',\n", + " 'adenylylsulfate(aq)'],\n", + " 'kegg:C00052': ['UDPgalactose(aq)'],\n", + " 'kegg:C00636': ['D-mannose 1-phosphate(aq)'],\n", + " 'kegg:C00096': ['GDPmannose(aq)'],\n", + " 'kegg:C00063': ['CTP(aq)'],\n", + " 'kegg:C00346': ['O-phosphorylethanolamine(aq)'],\n", + " 'kegg:C00570': ['CDPethanolamine(aq)'],\n", + " 'kegg:C00588': ['phosphorylcholine(aq)'],\n", + " 'kegg:C00307': ['CDPcholine(aq)'],\n", + " 'kegg:C04256': ['N-acetyl--D-glucosamine 1-phosphate(aq)',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq)'],\n", + " 'kegg:C00043': ['UDP-N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C00459': ['dTTP(aq)'],\n", + " 'kegg:C00842': ['dTDPglucose(aq)'],\n", + " 'kegg:C00501': ['CDPglucose(aq)'],\n", + " 'kegg:C00394': ['GDPglucose(aq)'],\n", + " 'kegg:C01281': ['[L-glutamate:ammonia ligase(ADP-forming)](aq)'],\n", + " 'kegg:C01299': ['adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'],\n", + " 'kegg:C05385': ['1-phospho--D-glucuronate(aq)'],\n", + " 'kegg:C00167': ['UDP-D-glucuronate(aq)'],\n", + " 'kegg:C00091': ['succinyl-CoA(aq)'],\n", + " 'kegg:C02588': ['retinyl palmitate(aq)'],\n", + " 'kegg:C00249': ['palmitate(aq)', 'palmitic acid(aq)'],\n", + " 'kegg:C01094': ['D-fructose 1-phosphate(aq)'],\n", + " 'kegg:C01113': ['D-galactose 6-phosphate(aq)'],\n", + " 'kegg:C03360': ['4-nitrophenyl phosphate(aq)'],\n", + " 'kegg:C00870': ['4-nitrophenol(aq)'],\n", + " 'kegg:C02734': ['phenyl phosphate(aq)'],\n", + " 'kegg:C00146': ['phenol(aq)'],\n", + " 'kegg:C00121': ['D-ribose(aq)'],\n", + " 'kegg:C00575': [\"adenosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C00968': [\"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C00942': [\"guanosine 3':5'-(cyclic)phosphate(aq)\",\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq)\"],\n", + " 'kegg:C00943': [\"inosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C01367': [\"adenosine 3'-monophosphate(aq)\"],\n", + " 'kegg:C02052': ['maltotetraose(aq)'],\n", + " 'kegg:C00252': ['isomaltose(aq)', '-isomaltose(aq)'],\n", + " 'kegg:C02160': ['isomaltotriose(aq)'],\n", + " 'kegg:C01936': ['maltohexaose(aq)'],\n", + " 'kegg:C01835': ['maltotriose(aq)'],\n", + " 'kegg:C00713': ['panose(aq)'],\n", + " 'kegg:C01742': ['palatinose(aq)'],\n", + " 'kegg:C19636': ['D-turanose(aq)'],\n", + " 'kegg:C08240': ['-gentiobiose(aq)'],\n", + " 'kegg:C05402': ['-D-melibiose(aq)'],\n", + " 'kegg:C07064': ['lactulose(aq)'],\n", + " 'kegg:C01882': ['ADPribose(aq)'],\n", + " 'kegg:C00152': ['L-asparagine(aq)'],\n", + " 'kegg:C00086': ['urea(aq)'],\n", + " 'kegg:C07761': ['cephalothin(aq)'],\n", + " 'kegg:C02595': ['2-thienylacetic acid(aq)'],\n", + " 'kegg:C07756': ['7-aminocephalosporanic acid(aq)'],\n", + " 'kegg:C05551': ['penicillin G(aq)', 'penicillin G-(aq)'],\n", + " 'kegg:C02954': ['6-aminopenicillanic acid(aq)',\n", + " '6-aminopenicillanic acid-(aq)',\n", + " '6-aminopenicillanate-(aq)'],\n", + " 'kegg:C07086': ['phenylacetic acid(aq)'],\n", + " 'kegg:C08126': ['phenoxymethylpenicillin-(aq)'],\n", + " 'kegg:C02181': ['phenoxyacetate(aq)'],\n", + " 'kegg:C05598': ['phenylacetylglycine(aq)'],\n", + " 'kegg:C02712': ['N-acetyl-L-methionine(aq)'],\n", + " 'kegg:C00864': ['pantothenate'],\n", + " 'kegg:C00522': ['pantoic acid', '(R)-pantoate(aq)'],\n", + " 'kegg:C00438': ['N-carbamoyl-L-aspartate(aq)'],\n", + " 'kegg:C03703': ['L-5-carboxymethylhydantoin(aq)'],\n", + " 'kegg:C06567': ['penicillinoic acid(aq)'],\n", + " 'kegg:C00499': ['allantoate(aq)'],\n", + " 'kegg:C00603': ['(-)-ureidoglycolate(aq)'],\n", + " 'kegg:C00475': ['cytidine(aq)'],\n", + " 'kegg:C00234': ['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate'],\n", + " 'kegg:C02466': ['trimetaphosphate(aq)'],\n", + " 'kegg:C00536': ['triphosphate(aq)'],\n", + " 'kegg:C01182': ['D-ribulose 1,5-biphosphate(aq)',\n", + " 'D-ribulose 1,5-bisphosphate(aq)'],\n", + " 'kegg:C03394': ['erythrulose 1-phosphate(aq)'],\n", + " 'kegg:C00673': ['2-deoxy-D-ribose 5-phosphate(aq)'],\n", + " 'kegg:C04442': ['6-phospho-2-dehydro-3-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C01099': ['L-fuculose 1-phosphate(aq)'],\n", + " 'kegg:C06159': ['2-dehydro-3-deoxy-D-fuconate(aq)'],\n", + " 'kegg:C00684': ['2-dehydro-3-deoxy-L-pentonate(aq)'],\n", + " 'kegg:C01131': ['L-rhamnulose 1-phosphate(aq)'],\n", + " 'kegg:C01286': ['2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq)'],\n", + " 'kegg:C06019': ['D-arabino-3-hexulose 6-phosphate(aq)',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate'],\n", + " 'kegg:C00270': ['N-acetylneuraminate(aq)'],\n", + " 'kegg:C00645': ['N-acetyl-D-mannosamine(aq)'],\n", + " 'kegg:C01127': ['4-hydroxy-2-oxoglutarate(aq)'],\n", + " 'kegg:C02614': ['(S)-2-methylmalate(aq)'],\n", + " 'kegg:C04348': ['(R,S)-malyl-CoA(aq)'],\n", + " 'kegg:C03652': ['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)'],\n", + " 'kegg:C00163': ['propanoate(aq)'],\n", + " 'kegg:C00078': ['L-tryptophan(aq)'],\n", + " 'kegg:C00463': ['indole(aq)'],\n", + " 'kegg:C00417': ['cis-aconitate(aq)'],\n", + " 'kegg:C00631': ['2-phospho-D-glycerate(aq)'],\n", + " 'kegg:C03561': ['(3R)-3-hydroxybutanoyl-CoA(aq)'],\n", + " 'kegg:C00877': ['cis-but-2-enoyl-CoA(aq)',\n", + " 'trans-but-2-enoyl-CoA(aq)',\n", + " 'trans-but-2-enoyl-coenzyme A'],\n", + " 'kegg:C05271': ['trans-hex-2-enoyl-CoA(aq)'],\n", + " 'kegg:C03506': ['1-(indol-3-yl)glycerol 3-phosphate(aq)'],\n", + " 'kegg:C00497': ['(R)-malate(aq)'],\n", + " 'kegg:C01384': ['maleate(aq)'],\n", + " 'kegg:C01732': ['2-methylfumarate(aq)'],\n", + " 'kegg:C02612': ['(R)-2-methylmalate(aq)'],\n", + " 'kegg:C02226': ['2-methylmaleate(aq)'],\n", + " 'kegg:C02237': ['5-oxo-D-proline(aq)'],\n", + " 'kegg:C00785': ['urocanate(aq)'],\n", + " 'kegg:C03680': ['4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'],\n", + " 'kegg:C04618': ['(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C04246': ['cis-but-2-enoyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00922': ['dimethylmaleate(aq)'],\n", + " 'kegg:C03618': ['L-threo-3-methylaspartate(aq)'],\n", + " 'kegg:C00135': ['L-histidine(aq)'],\n", + " 'kegg:C00079': ['L-phenylalanine(aq)'],\n", + " 'kegg:C00423': ['trans-cinnamate(aq)'],\n", + " 'kegg:C03406': ['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)'],\n", + " 'kegg:C03794': ['adenylosuccinate(aq)'],\n", + " 'kegg:C04823': [\"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole\"],\n", + " 'kegg:C04677': [\"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"],\n", + " 'kegg:C03451': ['(R)-S-lactoylglutathione(aq)'],\n", + " 'kegg:C00051': ['glutathione (reduced)(aq)'],\n", + " 'kegg:C00546': ['methylglyoxal(aq)'],\n", + " 'kegg:C00047': ['L-lysine(aq)'],\n", + " 'kegg:C00739': ['D-lysine(aq)'],\n", + " 'kegg:C00666': ['L,L-2,6-diaminoheptanedioate(aq)'],\n", + " 'kegg:C00680': ['meso-diaminoheptanedioate(aq)'],\n", + " 'kegg:C01157': ['trans-4-hydroxy-L-proline(aq)'],\n", + " 'kegg:C03440': ['cis-4-hydroxy-D-proline(aq)'],\n", + " 'kegg:C01570': ['D-leucine(aq)'],\n", + " 'kegg:C01101': ['L-ribulose 5-phosphate(aq)'],\n", + " 'kegg:C00935': ['UDP-L-arabinose(aq)'],\n", + " 'kegg:C00190': ['UDP-D-xylose(aq)'],\n", + " 'kegg:C00617': ['UDP-D-galacturonate(aq)'],\n", + " 'kegg:C00140': ['N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C00357': ['N-acetyl-D-glucosamine 6-phosphate(aq)'],\n", + " 'kegg:C04257': ['N-acetyl-D-mannosamine 6-phosphate(aq)'],\n", + " 'kegg:C03598': ['CDP-3,6-dideoxy-D-glucose(aq)'],\n", + " 'kegg:C03599': ['CDP-3,6-dideoxy-D-mannose(aq)'],\n", + " 'kegg:C00668': ['alpha-D-Glucose 6-phosphate(aq)'],\n", + " 'kegg:C01172': ['beta-D-Glucose 6-phosphate(aq)'],\n", + " 'kegg:C02280': ['GDP-L-galactose(aq)'],\n", + " 'kegg:C01213': ['(R)-methylmalonyl-CoA(aq)'],\n", + " 'kegg:C00683': ['(S)-methylmalonyl-CoA(aq)'],\n", + " 'kegg:C02110': ['11-cis-retinal(aq)'],\n", + " 'kegg:C01595': ['9-cis,12-cis-octadecadienoate(aq)'],\n", + " 'kegg:C04056': ['9-cis,11-trans-octadecadienoate(aq)'],\n", + " 'kegg:C01796': ['D-erythrose(aq)'],\n", + " 'kegg:C02022': ['D-erythrulose(aq)'],\n", + " 'kegg:C00216': ['D-arabinose(aq)'],\n", + " 'kegg:C01019': ['L-fucose(aq)'],\n", + " 'kegg:C01721': ['L-fuculose(aq)'],\n", + " 'kegg:C00259': ['L-arabinose(aq)'],\n", + " 'kegg:C00508': ['L-ribulose(aq)'],\n", + " 'kegg:C06468': ['D-psicose(aq)'],\n", + " 'kegg:C01487': ['-D-allose(aq)'],\n", + " 'kegg:C06464': ['D-altrose(aq)'],\n", + " 'kegg:C00476': ['D-lyxose(aq)'],\n", + " 'kegg:C00352': ['D-glucosamine 6-phosphate(aq)'],\n", + " 'kegg:C00333': ['D-galacturonate(aq)'],\n", + " 'kegg:C00558': ['D-tagaturonate(aq)'],\n", + " 'kegg:C00191': ['D-glucuronate(aq)'],\n", + " 'kegg:C00905': ['D-fructuronate(aq)'],\n", + " 'kegg:C01112': ['D-arabinose 5-phosphate(aq)'],\n", + " 'kegg:C00507': ['L-rhamnose(aq)'],\n", + " 'kegg:C00861': ['L-rhamnulose(aq)'],\n", + " 'kegg:C00166': ['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)'],\n", + " 'kegg:C02763': ['enol-phenylpyruvate(aq)'],\n", + " 'kegg:C03981': ['enol-oxaloacetate(aq)'],\n", + " 'kegg:C00129': ['isopentenyl diphosphate(aq)'],\n", + " 'kegg:C00235': ['dimethylallyl diphosphate(aq)'],\n", + " 'kegg:C02295': ['methylitaconate(aq)'],\n", + " 'kegg:C06156': ['D-glucosamine 1-phosphate(aq)'],\n", + " 'kegg:C01231': ['D-glucose 1,6-diphosphate(aq)'],\n", + " 'kegg:C01142': ['(3S)-3,6-diaminohexanoate(aq)'],\n", + " 'kegg:C00515': ['D-ornithine(aq)'],\n", + " 'kegg:C02930': ['2-methyleneglutarate(aq)'],\n", + " 'kegg:C04105': ['2,5-dihydro-5-oxofuran-2-acetate(aq)'],\n", + " 'kegg:C02480': ['cis-cis-hexadienedioate(aq)'],\n", + " 'kegg:C03178': ['tetrahydroxypteridine(aq)'],\n", + " 'kegg:C03314': ['xanthine-8-carboxylate(aq)'],\n", + " 'kegg:C00183': ['L-valine', 'L-valine(aq)'],\n", + " 'kegg:C01653': ['tRNA(Val)'],\n", + " 'kegg:C02554': ['L-Valyl-tRNA(Val)'],\n", + " 'kegg:C01904': ['D-arabitol(aq)'],\n", + " 'kegg:C15025': ['D-carnitine(aq)'],\n", + " 'kegg:C00584': ['prostaglandin E2(aq)'],\n", + " 'kegg:C04707': ['15-oxo-prostaglandin E2(aq)'],\n", + " 'kegg:C00027': ['H2O2(aq)', 'H2O2'],\n", + " 'kegg:C00187': ['cholesterol(aq)'],\n", + " 'kegg:C00599': ['cholest-4-en-3-one(aq)'],\n", + " '0.5 kegg:C00007': ['1/2 O2(aq)'],\n", + " 'kegg:C00254': ['prephenate(aq)'],\n", + " 'kegg:C01179': ['4-hydroxyphenylpyruvate(aq)'],\n", + " 'metanetx.chemical:MNXM39260': ['S-aminomethyldihydro--lipoate(aq)'],\n", + " 'kegg:C00366': ['urate(aq)'],\n", + " 'kegg:C01551': ['allantoin(aq)'],\n", + " 'kegg:C02278': ['dodecanal(aq)'],\n", + " 'kegg:C01847': ['FMN(reduced)'],\n", + " 'kegg:C02679': ['dodecanoic acid(aq)'],\n", + " 'kegg:C00061': ['FMN(oxidized)'],\n", + " 'kegg:C00808': ['(+)-camphor(aq)'],\n", + " 'kegg:C03448': ['(+)-5-exo-hydroxycamphor(aq)'],\n", + " 'kegg:C04377': ['CH2-H4PteGlu4(aq)'],\n", + " 'kegg:C01217': ['H4PteGlu4(aq)'],\n", + " 'kegg:C00979': ['O-acetyl-L-serine(aq)'],\n", + " 'kegg:C00082': ['L-tyrosine(aq)'],\n", + " 'kegg:C05665': ['3-aminopropionaldehyde(aq)'],\n", + " 'kegg:C00986': ['1,3-diaminopropane(aq)'],\n", + " 'kegg:C06827': ['amoxicillin(aq)'],\n", + " 'kegg:C03493': ['D-4-hydroxyphenylglycine(aq)',\n", + " 'D-(4-hydroxyphenyl)glycine(aq)'],\n", + " 'kegg:C03410': ['N-glycolylneuraminate(aq)'],\n", + " 'kegg:C03521': ['N-glycolyl-D-mannosamine(aq)'],\n", + " 'kegg:C00251': ['chorismate(aq)'],\n", + " 'kegg:C00156': ['4-hydroxybenzoate(aq)'],\n", + " 'kegg:C06322': ['cyclohexa-1,5-diene-1-carboxyl-CoA(aq)'],\n", + " 'kegg:C06749': ['6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'],\n", + " 'kegg:C11355': ['4-amino-4-deoxychorismate(aq)'],\n", + " 'kegg:C00885': ['isochorismate(aq)'],\n", + " 'kegg:C18054': ['2-amino-2-deoxyisochorismate(aq)'],\n", + " 'kegg:C00314': ['pyridoxine(aq)'],\n", + " 'kegg:C05662': ['(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)'],\n", + " 'kegg:C00966': ['2-dehydropantoate(aq)'],\n", + " 'kegg:C15673': ['2-keto-L-gulonate(aq)'],\n", + " 'kegg:C02780': ['2,5-diketo-D-gluconate(aq)'],\n", + " 'kegg:C00449': ['N6-(L-1,3-dicarboxypropyl)-L-lysine'],\n", + " '2 kegg:C00704': ['O2-'],\n", + " 'kegg:C04688': ['(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq)'],\n", + " 'kegg:C03688': ['acyl-carrier-protein(aq)'],\n", + " 'kegg:C04738': ['UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C06021': ['corrinoid protein(aq)'],\n", + " 'kegg:C00237': ['carbon monoxide(aq)'],\n", + " 'kegg:C06020': ['methylcorrinoid protein(aq)'],\n", + " 'kegg:C01185': ['Nicotinate D-ribonucleotide(aq)'],\n", + " 'kegg:C00253': ['nicotinic acid(aq)'],\n", + " 'kegg:C00170': [\"'-methylthioadenosine(aq)\"],\n", + " 'kegg:C04188': ['5-methylthio-D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C03557': ['(2-aminoethyl)phosphonate(aq)'],\n", + " 'kegg:C03167': ['2-phosphonoacetaldehyde(aq)'],\n", + " 'kegg:C06255': ['2-oxovalerate(aq)'],\n", + " 'kegg:C01003': ['myosin light chain(aq)'],\n", + " 'kegg:C03875': ['myosin light chain phosphate(aq)'],\n", + " 'kegg:C03519': ['N-acetyl-L-phenylalanine(aq)'],\n", + " 'kegg:C11695': ['anandamide(aq)'],\n", + " 'kegg:C00189': ['ethanolamine(aq)'],\n", + " 'kegg:C00219': ['arachidonic acid(aq)'],\n", + " 'kegg:C16512': ['palmitoylethanolamide(aq)'],\n", + " 'kegg:C00429': ['5,6-dihydrouracil(aq)'],\n", + " 'kegg:C02642': ['3-ureidopropanoic acid(aq)'],\n", + " 'kegg:C05922': ['((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'],\n", + " 'kegg:C09814': ['benzonitrile(aq)'],\n", + " '2 kegg:C00001': ['H2O(aq)'],\n", + " 'kegg:C00180': ['benzoic acid(aq)'],\n", + " 'kegg:C16074': ['benzyl cyanide(aq)'],\n", + " 'kegg:C02938': ['3-indoleacetonitrile(aq)'],\n", + " 'kegg:C00954': ['indole-3-acetic acid(aq)'],\n", + " 'kegg:C04691': ['2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq)'],\n", + " 'kegg:C00204': ['2-oxo-3-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C00108': ['anthranilate(aq)'],\n", + " 'kegg:C04114': ['4-(trimethylammonio)but-2-enoate(aq)'],\n", + " 'kegg:C00203': ['UDP-N-acetyl-D-galactosamine(aq)'],\n", + " 'kegg:C06463': ['D-threose(aq)'],\n", + " 'kegg:C05439': ['(3,5)-cholesta-7,24-diene-3-ol(aq)'],\n", + " 'kegg:C05437': ['(3,5)-cholesta-8,24-diene-3-ol(aq)'],\n", + " 'kegg:C02798': ['3-phosphonopyruvate(aq)'],\n", + " 'kegg:C00787': ['tRNA-Tyr(aq)'],\n", + " 'kegg:C02839': ['L-tyrosyl-tRNA-Tyr(aq)'],\n", + " 'kegg:C01651': ['tRNA-Thr(aq)'],\n", + " 'kegg:C02992': ['L-threonyl-tRNA-Thr(aq)'],\n", + " 'kegg:C00407': ['L-isoleusine(aq)'],\n", + " 'kegg:C01644': ['tRNA-Ile(aq)'],\n", + " 'kegg:C03127': ['L-isoleucyl-tRNA-Ile(aq)'],\n", + " 'kegg:C01646': ['tRNA-Lys(aq)'],\n", + " 'kegg:C01931': ['L-lysyl-tRNA-Lys(aq)'],\n", + " 'kegg:C01650': ['tRNA-Ser(aq)'],\n", + " 'kegg:C02553': ['L-seryl-tRNA-Ser(aq)'],\n", + " 'kegg:C01636': ['tRNA-Arg(aq)'],\n", + " 'kegg:C02163': ['L-arginyl-tRNA-Arg(aq)'],\n", + " 'kegg:C01648': ['tRNA-Phe(aq)'],\n", + " 'kegg:C03511': ['L-phenylalanyl-tRNA-Phe(aq)'],\n", + " 'kegg:C01643': ['tRNA-His(aq)'],\n", + " 'kegg:C02988': ['L-histidyl-tRNA-His(aq)'],\n", + " 'kegg:C03373': ['Aminoimidazole ribotide'],\n", + " 'kegg:C04751': ['1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'],\n", + " 'kegg:C04734': [\"1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"]}" + ] + }, + "execution_count": 29, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "inv_cpid" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "id": "b2c909e7", + "metadata": {}, + "outputs": [], + "source": [ + "ldict = []\n", + "for cpd in compounds:\n", + " d = {}\n", + " d['name'] = cpd\n", + " d['kegg'] = numpy.NaN\n", + " d['synonyms'] = []\n", + " if cpd in cpid:\n", + " d['kegg'] = cpid[cpd]\n", + " if len(inv_cpid[d['kegg']]) > 1:\n", + " d['synonyms'] = inv_cpid[d['kegg']]\n", + " ldict.append(d)" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "id": "19034412", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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namekeggsynonyms
0benzyl alcohol(aq)kegg:C00556[]
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...
2benzaldehyde(aq)kegg:C00261[]
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']
41-butanol(aq)kegg:C06142[]
............
3101D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...
3102Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']
3103D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...
3105D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...
3106,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...
\n", + "

1052 rows × 3 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \n", + "0 benzyl alcohol(aq) kegg:C00556 \\\n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "3101 D-Ribulose 5-phosphate kegg:C00199 \n", + "3102 Formaldehyde kegg:C00067 \n", + "3103 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "3105 D-Fructose 6-phosphate kegg:C00085 \n", + "3106 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "3101 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "3102 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "3103 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "3105 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "3106 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + "[1052 rows x 3 columns]" + ] + }, + "execution_count": 31, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "pandas.DataFrame(ldict).astype(str).drop_duplicates()" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "id": "5b8327cf", + "metadata": {}, + "outputs": [], + "source": [ + "pandas.DataFrame(ldict).astype(str).drop_duplicates().to_csv('compounds.csv', index=None)" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "id": "12a315da", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "[{'name': 'benzyl alcohol(aq)', 'kegg': 'kegg:C00556', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'benzaldehyde(aq)', 'kegg': 'kegg:C00261', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1-butanol(aq)', 'kegg': 'kegg:C06142', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'butanal(aq)', 'kegg': 'kegg:C01412', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'cyclohexanol(aq)', 'kegg': 'kegg:C00854', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'cyclohexanone(aq)', 'kegg': 'kegg:C00414', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'desamino NAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'desamino NADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-hexanol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'hexanal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'cis-3-hexene-1-ol(aq)', 'kegg': 'kegg:C08492', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'cis-3-hexenal(aq)', 'kegg': 'kegg:C16310', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'trans-2-hexen-1-ol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'trans-2-hexenal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-nonanol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'nonanal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-octanol(aq)', 'kegg': 'kegg:C00756', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'octanal(aq)', 'kegg': 'kegg:C01545', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1-propanol(aq)', 'kegg': 'kegg:C05979', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'propanal(aq)', 'kegg': 'kegg:C00479', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-propanol(aq)', 'kegg': 'kegg:C01845', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetone(aq)', 'kegg': 'kegg:C00207', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-propanol(aq)', 'kegg': 'kegg:C01845', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetone(aq)', 'kegg': 'kegg:C00207', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'vitamin A alcohol(aq)',\n", + " 'kegg': 'kegg:C00473',\n", + " 'synonyms': ['vitamin A alcohol(aq)', 'retinol(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'vitamin A aldehyde(aq)',\n", + " 'kegg': 'kegg:C00376',\n", + " 'synonyms': ['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-homoserine(aq)', 'kegg': 'kegg:C00263', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-homoserine(aq)', 'kegg': 'kegg:C00263', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R,R)-2,3-butanediol(aq)', 'kegg': 'kegg:C03044', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(R)-acetoin(aq)', 'kegg': 'kegg:C00810', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone(aq)', 'kegg': 'kegg:C00184', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone(aq)', 'kegg': 'kegg:C00184', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'sn-glycerol 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00093',\n", + " 'synonyms': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone phosphate(aq)',\n", + " 'kegg': 'kegg:C00111',\n", + " 'synonyms': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'sn-glycerol 3-phosphate',\n", + " 'kegg': 'kegg:C00093',\n", + " 'synonyms': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone phosphate(aq)',\n", + " 'kegg': 'kegg:C00111',\n", + " 'synonyms': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'allitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-psicose(aq)', 'kegg': 'kegg:C06468', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glycero-D-glucoheptitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-sedoheptulose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-iditol(aq)', 'kegg': 'kegg:C01507', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-sorbose(aq)', 'kegg': 'kegg:C00247', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ribitol(aq)', 'kegg': 'kegg:C00474', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-ribulose(aq)', 'kegg': 'kegg:C00309', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol(aq)', 'kegg': 'kegg:C00794', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-threitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-erythrulose(aq)', 'kegg': 'kegg:C02045', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-xylulose(aq)', 'kegg': 'kegg:C00310', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-xylulose(aq)', 'kegg': 'kegg:C00312', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'galactitol(aq)', 'kegg': 'kegg:C01697', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-tagatose(aq)', 'kegg': 'kegg:C00795', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-mannitol(aq)', 'kegg': 'kegg:C00392', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-mannitol 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00644',\n", + " 'synonyms': ['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'myo-inositol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxo-myo-inositol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-xylose(aq)', 'kegg': 'kegg:C00181', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'quinate(aq)', 'kegg': 'kegg:C00296', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5-dehydroquinate(aq)',\n", + " 'kegg': 'kegg:C00944',\n", + " 'synonyms': ['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'shikimate(aq)', 'kegg': 'kegg:C00493', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-dehydroshikimate(aq)', 'kegg': 'kegg:C02637', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R)-glycerate(aq)', 'kegg': 'kegg:C00258', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'hydroxypyruvate(aq)', 'kegg': 'kegg:C00168', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycolate(aq)', 'kegg': 'kegg:C00160', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycolate(aq)', 'kegg': 'kegg:C00160', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-hydroxybutanoate(aq)',\n", + " 'kegg': 'kegg:C05984',\n", + " 'synonyms': ['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxobutanoate(aq)', 'kegg': 'kegg:C00109', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2,4-dihydroxybutanoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxo-4-hydroxybutanoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': '(R)-lactate(aq)', 'kegg': 'kegg:C00256', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(R)-3-hydroxybutanoate(aq)', 'kegg': 'kegg:C01089', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxobutanoate(aq)',\n", + " 'kegg': 'kegg:C00164',\n", + " 'synonyms': ['3-oxobutanoate(aq)', 'acetoacetate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '3-hydroxy-2-methylpropanoate(aq)',\n", + " 'kegg': 'kegg:C01188',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-methyl-3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C00349',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C01144',\n", + " 'synonyms': ['(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxobutanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00332',\n", + " 'synonyms': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C05268',\n", + " 'synonyms': ['(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxohexanoyl-CoA(aq)', 'kegg': 'kegg:C05269', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'meso-tartrate(aq)', 'kegg': 'kegg:C00552', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(E)-dihydroxyfumarate(aq)', 'kegg': 'kegg:C00975', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'meso-tartrate(aq)', 'kegg': 'kegg:C00552', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxo-3-hydroxysuccinate(aq)',\n", + " 'kegg': 'kegg:C03459',\n", + " 'synonyms': ['2-oxo-3-hydroxysuccinate(aq)',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-aspartate(aq)', 'kegg': 'kegg:C00049', 'synonyms': []},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'citrate(aq)', 'kegg': 'kegg:C00158', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'isocitrate(aq)', 'kegg': 'kegg:C00311', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'isocitrate(aq)', 'kegg': 'kegg:C00311', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '6-phospho-D-gluconate(aq)', 'kegg': 'kegg:C00345', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-ribulose 5-phosphate(aq)',\n", + " 'kegg': 'kegg:C00199',\n", + " 'synonyms': ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '-D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-glucono-1,5-lactone(aq)', 'kegg': 'kegg:C00198', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-galactose(aq)', 'kegg': 'kegg:C00124', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-galactono-1,4-lactone(aq)',\n", + " 'kegg': 'kegg:C03383',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucono-1,5-lactone 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C01236',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '6-phospho-D-gluconate(aq)', 'kegg': 'kegg:C00345', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '5α-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-androstane-3α,17β-diol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-androstane-17β-ol-3-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'TNAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5α-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'TNADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5β-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5β-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5β-pregnane-3α,17α,21-triol-11,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5alpha-androstane-3beta,17alpha-diol(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5alpha-androstane-17alpha-ol-3-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-androstene-17-ol-3-one(aq)',\n", + " 'kegg': 'kegg:C00535',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-androstene-3,17-dione(aq)',\n", + " 'kegg': 'kegg:C00280',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-pregnane-3β,17α,21-triol-11,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1,2-propanediol(aq)', 'kegg': 'kegg:C00583', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-lactaldehyde(aq)',\n", + " 'kegg': 'kegg:C00424',\n", + " 'synonyms': ['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '3-hydroxypropanoate(aq)', 'kegg': 'kegg:C01013', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C00222',\n", + " 'synonyms': ['3-oxopropanoate(aq)', '3-oxopropanoate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(R)-glycerate(aq)', 'kegg': 'kegg:C00258', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-hydroxy-3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C01146',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-hydroxybutanoate(aq)', 'kegg': 'kegg:C00989', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-oxobutanoate(aq)', 'kegg': 'kegg:C00232', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'estradiol-17(aq)', 'kegg': 'kegg:C00951', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'estrone(aq)', 'kegg': 'kegg:C00468', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-gluconate(aq)', 'kegg': 'kegg:C00257', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5-oxo-D-gluconate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '(R)-glyceraldehyde(aq)',\n", + " 'kegg': 'kegg:C00577',\n", + " 'synonyms': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'glycolate(aq)', 'kegg': 'kegg:C00160', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '3-phospho-D-glycerate(aq)',\n", + " 'kegg': 'kegg:C00197',\n", + " 'synonyms': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-phosphohydroxypyruvate(aq)',\n", + " 'kegg': 'kegg:C03232',\n", + " 'synonyms': ['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)',\n", + " 'kegg': 'kegg:C04367',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)',\n", + " 'kegg': 'kegg:C01244',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '3-hydroxybenzyl alcohol(aq)',\n", + " 'kegg': 'kegg:C03351',\n", + " 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-hydroxybenzaldehyde(aq)', 'kegg': 'kegg:C03067', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C04618',\n", + " 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-oxobutanoyl-[acyl-carrier protein](aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-dehydrocarnitine(aq)', 'kegg': 'kegg:C02636', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'indole-3-lactate(aq)', 'kegg': 'kegg:C02043', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'indole-3-pyruvate(aq)', 'kegg': 'kegg:C00331', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucono-1,5-lactone(aq)', 'kegg': 'kegg:C00198', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5-dehydro-D-fructose(aq)', 'kegg': 'kegg:C00273', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '2-deoxy-D-gluconate(aq)', 'kegg': 'kegg:C02782', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-deoxy-3-dehydro-D-gluconate(aq)',\n", + " 'kegg': 'kegg:C03926',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-threonate(aq)', 'kegg': 'kegg:C01620', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxo-L-threonate(aq)', 'kegg': 'kegg:C03064', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol 6-phosphate(aq)', 'kegg': 'kegg:C01096', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'prostaglandin E1(aq)', 'kegg': 'kegg:C04741', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '15-oxo-prostaglandin E1(aq)',\n", + " 'kegg': 'kegg:C04654',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-pregnene-11β,17α,21-triol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-pregnene-11β,17α-diol-3,20,21-trione( aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '7,8-dihydrobiopterin(aq)', 'kegg': 'kegg:C02953', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'sepiapterin(aq)', 'kegg': 'kegg:C00835', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'coniferyl alcohol(aq)', 'kegg': 'kegg:C00590', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'coniferyl aldehyde(aq)', 'kegg': 'kegg:C02666', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R)-2-hydroxyglutarate(aq)', 'kegg': 'kegg:C01087', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol 6-phosphate(aq)', 'kegg': 'kegg:C01096', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-gluconate(aq)', 'kegg': 'kegg:C00257', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '2-oxo-D-gluconate(aq)', 'kegg': 'kegg:C06473', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'lactose(aq)', 'kegg': 'kegg:C00243', 'synonyms': []},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': '3-oxolactose(aq)', 'kegg': 'kegg:C05403', 'synonyms': []},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-4-aspartyl phosphate(aq)',\n", + " 'kegg': 'kegg:C03082',\n", + " 'synonyms': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'L-aspartate-4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-4-aspartyl phosphate(aq)',\n", + " 'kegg': 'kegg:C03082',\n", + " 'synonyms': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(aminomethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-animomethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(chloroethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-chloroethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(chloromethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-chloromethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(ethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-ethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(methoxy)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-methoxy)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(methyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-methyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-phospho-D-glyceroyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00236',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'phosphonate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl)phosphonate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': '3-phospho-D-glycerate(aq)',\n", + " 'kegg': 'kegg:C00197',\n", + " 'synonyms': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']},\n", + " {'name': 'ATP(aq)',\n", + " 'kegg': 'kegg:C00002',\n", + " 'synonyms': ['ATP(aq)', 'ATP', 'ATP-4-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxalyl-CoA(aq)', 'kegg': 'kegg:C00313', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'succinate(aq)', 'kegg': 'kegg:C00042', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'fumarate(aq)',\n", + " 'kegg': 'kegg:C00122',\n", + " 'synonyms': ['fumarate(aq)', 'Fumarate']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '(S)-dihydroorotate(aq)', 'kegg': 'kegg:C00337', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'orotate(aq)', 'kegg': 'kegg:C00295', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-dihydroorotate(aq)', 'kegg': 'kegg:C00337', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'orotate(aq)', 'kegg': 'kegg:C00295', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'L-alanine(aq)',\n", + " 'kegg': 'kegg:C00041',\n", + " 'synonyms': ['L-alanine(aq)', 'L-alanine']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'desamino NAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'desamino NADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-leucine(aq)', 'kegg': 'kegg:C00123', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '4-methyl-2-oxopentanoate(aq)',\n", + " 'kegg': 'kegg:C00233',\n", + " 'synonyms': ['4-methyl-2-oxopentanoate(aq)',\n", + " '4-methyl-2-oxopentanooate(aq)',\n", + " '2-oxoisocaproate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'glycine(ag)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-erythro-3,5-diaminohexanoate(aq)',\n", + " 'kegg': 'kegg:C01186',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '(S)-5-amino-3-oxohexanoate(aq)',\n", + " 'kegg': 'kegg:C03656',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': '2,4-diaminopentanoate(aq)',\n", + " 'kegg': 'kegg:C03943',\n", + " 'synonyms': ['2,4-diaminopentanoate(aq)',\n", + " 'D-threo-2,4-diaminopentanoate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-amino-4-oxopentanoate(aq)',\n", + " 'kegg': 'kegg:C03341',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': '(S)-proline(aq)', 'kegg': 'kegg:C00148', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-pyrroline-2-carboxylate(aq)',\n", + " 'kegg': 'kegg:C03564',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(S)-proline(aq)', 'kegg': 'kegg:C00148', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-pyrroline-5-carboxylate(aq)',\n", + " 'kegg': 'kegg:C03912',\n", + " 'synonyms': ['D-1-pyrroline-5-carboxylate(aq)',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '7,8-dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'folate(aq)', 'kegg': 'kegg:C00504', 'synonyms': []},\n", + " {'name': '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '7,8-dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'N-2-(D-1-carboxyethyl)-L-arginine(aq)',\n", + " 'kegg': 'kegg:C04137',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'L-arginine(aq)', 'kegg': 'kegg:C00062', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': \"2,2'-iminodipropanoate(aq)\", 'kegg': 'kegg:C03210', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'L-alanine(aq)',\n", + " 'kegg': 'kegg:C00041',\n", + " 'synonyms': ['L-alanine(aq)', 'L-alanine']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-methyliminodiacetatc(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H20(l)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-pipecolate(aq)', 'kegg': 'kegg:C00408', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-piperidine-2-carboxylate(aq)',\n", + " 'kegg': 'kegg:C04092',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'reduced glutathione(aq)',\n", + " 'kegg': '2 kegg:C00051',\n", + " 'synonyms': ['reduced glutathione(aq)', 'glutathoine(red)(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxidized glutathione(aq)',\n", + " 'kegg': 'kegg:C00127',\n", + " 'synonyms': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'reduced thioredoxin(aq)', 'kegg': 'kegg:C00342', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxidized thioredoxin(aq)', 'kegg': 'kegg:C00343', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '5-methyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00440',\n", + " 'synonyms': []},\n", + " {'name': 'flavin-adenine dinucleotide(aq)',\n", + " 'kegg': 'kegg:C00016',\n", + " 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'reduced flavin-adenine dinucleotide(aq)',\n", + " 'kegg': 'kegg:C01352',\n", + " 'synonyms': []},\n", + " {'name': 'dihydrolipoamide(aq)', 'kegg': 'kegg:C00579', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'lipoamide(aq)', 'kegg': 'kegg:C00248', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'dihydro--lipoate(aq)', 'kegg': 'kegg:C02147', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '-lipoate(aq)',\n", + " 'kegg': 'kegg:C00725',\n", + " 'synonyms': ['-lipoate(aq)', 'lipoate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'oxidized glutathione(aq)',\n", + " 'kegg': 'kegg:C00127',\n", + " 'synonyms': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']},\n", + " {'name': 'CoA-glutathione(aq)', 'kegg': 'kegg:C00920', 'synonyms': []},\n", + " {'name': 'reduced glutathione(aq)',\n", + " 'kegg': '2 kegg:C00051',\n", + " 'synonyms': ['reduced glutathione(aq)', 'glutathoine(red)(aq)']},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'H2(aq)', 'kegg': 'kegg:C00282', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'betaine(aq)', 'kegg': 'kegg:C00719', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'N,N-dimethylglycine(aq)', 'kegg': 'kegg:C01026', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'dimethylacetothetin(aq)', 'kegg': 'kegg:C03392', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-methylthioglycolate(aq)', 'kegg': 'kegg:C03173', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'dimethylpropiothetin(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-methyltpropiothetin(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'S-methylmethionine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'trimethylsulfonium(aq)', 'kegg': 'kegg:C01008', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'dimethylsulfide(aq)', 'kegg': 'kegg:C00580', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'S-adenosyl-L-methionine(aq)',\n", + " 'kegg': 'kegg:C00019',\n", + " 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-adenosyl-L-homocysteine(aq)',\n", + " 'kegg': 'kegg:C00021',\n", + " 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'dUMP(aq)', 'kegg': 'kegg:C00365', 'synonyms': []},\n", + " {'name': 'dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'dTMP(aq)', 'kegg': 'kegg:C00364', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'L-threonine(aq)', 'kegg': 'kegg:C00188', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': 'L-serine(aq)', 'kegg': 'kegg:C00065', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': 'L-serine(aq)', 'kegg': 'kegg:C00065', 'synonyms': []},\n", + " {'name': '5-formiminotetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00664',\n", + " 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'N-formiminoglycine(aq)', 'kegg': 'kegg:C02718', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5-formiminotetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00664',\n", + " 'synonyms': []},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'N-formimino-L-glutamate(aq)',\n", + " 'kegg': 'kegg:C00439',\n", + " 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '2-hydroxymethylserine(aq)', 'kegg': 'kegg:C03059', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'D-serine(aq)', 'kegg': 'kegg:C00740', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-hydroxymethylserine(aq)', 'kegg': 'kegg:C03059', 'synonyms': []},\n", + " {'name': 'D-serine(aq)', 'kegg': 'kegg:C00740', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': '2-methylserine(aq)', 'kegg': 'kegg:C02115', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'D-alanine(aq)', 'kegg': 'kegg:C00133', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-methylserine(aq)', 'kegg': 'kegg:C02115', 'synonyms': []},\n", + " {'name': 'D-alanine(aq)', 'kegg': 'kegg:C00133', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': 'propanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00100',\n", + " 'synonyms': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'methylmalonyl-CoA(aq)', 'kegg': 'kegg:C02557', 'synonyms': []},\n", + " {'name': 'carbamoyl phosphate(aq)', 'kegg': 'kegg:C00169', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'L-citrulline(aq)', 'kegg': 'kegg:C00327', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-arginine(aq)', 'kegg': 'kegg:C00062', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'guanidinoacetate(aq)', 'kegg': 'kegg:C00581', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phospahte(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'glycolaldehyde(aq)', 'kegg': 'kegg:C00266', 'synonyms': []},\n", + " {'name': 'L-erythrulose(aq)', 'kegg': 'kegg:C02045', 'synonyms': []},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'sedoheptulose 7-phosphate(aq)',\n", + " 'kegg': 'kegg:C05382',\n", + " 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-ribose 5-phosphate(aq)', 'kegg': 'kegg:C00117', 'synonyms': []},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde-3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde(aq)',\n", + " 'kegg': 'kegg:C00577',\n", + " 'synonyms': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']},\n", + " {'name': 'sedoheptulose 7-phosphate(aq)',\n", + " 'kegg': 'kegg:C05382',\n", + " 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'imidazole(aq)', 'kegg': 'kegg:C01589', 'synonyms': []},\n", + " {'name': 'N-acetylimidazole(aq)', 'kegg': 'kegg:C02560', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'acetanilide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'aniline(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-acetylacetanalide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-aminoacetophenone(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-chloroacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-chloroaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-cyanoacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-cyanoaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'ethyl 4-acetamidobenzoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'ethyl 4-aminobenzoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methoxyacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methoxyaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methylacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'p-toluidine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-nitroacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-nitroaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'α,α,α-trifluoro-m-acetanilide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'α,α,α-trifluoro-m-toluidine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'choline(aq)', 'kegg': 'kegg:C00114', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'O-acetylcholine(aq)',\n", + " 'kegg': 'kegg:C01996',\n", + " 'synonyms': ['O-acetylcholine(aq)', 'acetylcholine(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-acetylcarnitine(aq)', 'kegg': 'kegg:C02571', 'synonyms': []},\n", + " {'name': 'butyryl-CoA(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-butyrylcarnitine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'propionyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00100',\n", + " 'synonyms': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)']},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-propionylcarnitine(aq)', 'kegg': 'kegg:C03017', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'imidazole(aq)', 'kegg': 'kegg:C01589', 'synonyms': []},\n", + " {'name': 'N-acetylimidazole(aq)', 'kegg': 'kegg:C02560', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'formyl-CoA(aq)', 'kegg': 'kegg:C00798', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'formyl phosphate(aq)', 'kegg': 'kegg:C02405', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetate(aq)',\n", + " 'kegg': 'kegg:C00033',\n", + " 'synonyms': ['acetate(aq)', 'acetate-(aq)']},\n", + " {'name': 'ATP(aq)',\n", + " 'kegg': 'kegg:C00002',\n", + " 'synonyms': ['ATP(aq)', 'ATP', 'ATP-4-(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'orthophospate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetoacetyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00332',\n", + " 'synonyms': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']},\n", + " {'name': 'palmitoyl-CoA(aq)', 'kegg': 'kegg:C00154', 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-palmitoylcarnitine(aq)', 'kegg': 'kegg:C02990', 'synonyms': []},\n", + " {'name': 'N-2-acetyl-L-ornithine(aq)', 'kegg': 'kegg:C00437', 'synonyms': []},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'N-acetyl-L-glutamate(aq)', 'kegg': 'kegg:C00624', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'acyl-carrier protein(aq)', 'kegg': 'kegg:C00229', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C03939',\n", + " 'synonyms': []},\n", + " {'name': 'malonyl-CoA(aq)', 'kegg': 'kegg:C00083', 'synonyms': []},\n", + " {'name': 'acyl-carrier protein(aq)', 'kegg': 'kegg:C00229', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'malonyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C01209',\n", + " 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': '-D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'maltose(aq)', 'kegg': 'kegg:C00208', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': '(2,6-beta-D-fructosyl)n(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': '(2,6-beta-D-fructosyl)n+1(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'ADPglucose(aq)', 'kegg': 'kegg:C00498', 'synonyms': []},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': 'sucrose 6-phosphate(aq)', 'kegg': 'kegg:C16688', 'synonyms': []},\n", + " {'name': 'UDP-glucose',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-glucose 6-phosphate',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'UDP', 'kegg': 'kegg:C00015', 'synonyms': []},\n", + " {'name': \"alpha,alpha'-trehalose 6-phosphate\",\n", + " 'kegg': 'kegg:C00689',\n", + " 'synonyms': [\"alpha,alpha'-trehalose 6-phosphate\",\n", + " ',-trehalose 6-phosphate(aq)']},\n", + " {'name': 'cycloheptaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cyclohexaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cyclooctaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cellobiose(aq)', 'kegg': 'kegg:C00185', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'cellotriose(aq)', 'kegg': 'kegg:C06219', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'cellobiose(aq)', 'kegg': 'kegg:C00185', 'synonyms': []},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'laminaribiose(aq)', 'kegg': 'kegg:C02048', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'laminaritetraose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'laminaritriose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'alpha-D-glucose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'laminaritriose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'laminaribiose(aq)', 'kegg': 'kegg:C02048', 'synonyms': []},\n", + " {'name': 'alpha-D-glucose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': ',-trehalose(aq)', 'kegg': 'kegg:C01083', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': '1--D-galactosyl-myo-inositol(aq)',\n", + " 'kegg': 'kegg:C01235',\n", + " 'synonyms': []},\n", + " {'name': 'raffinose(aq)', 'kegg': 'kegg:C00492', 'synonyms': []},\n", + " {'name': 'myo-inositol(aq)', 'kegg': 'kegg:C00137', 'synonyms': []},\n", + " {'name': 'stachyose(aq)', 'kegg': 'kegg:C01613', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'sinapate(aq)', 'kegg': 'kegg:C00482', 'synonyms': []},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': '1-sinapoyl-D-glucose(aq)', 'kegg': 'kegg:C01175', 'synonyms': []},\n", + " {'name': 'adenosine(aq)', 'kegg': 'kegg:C00212', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': \"2'-deoxyinosine(aq)\",\n", + " 'kegg': 'kegg:C05512',\n", + " 'synonyms': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"]},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '2-deoxy--D-ribose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00672',\n", + " 'synonyms': []},\n", + " {'name': 'guanosine(aq)', 'kegg': 'kegg:C00387', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'alpha-D-ribose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'nicotinamide(aq)', 'kegg': 'kegg:C00153', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'nicotinamide riboside(aq)', 'kegg': 'kegg:C03150', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'xanthosine(aq)', 'kegg': 'kegg:C01762', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'xanthine(aq)', 'kegg': 'kegg:C00385', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': '5-methyluridine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '5-methyluridine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': 'alpha-D-ribose-1-phosphate', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'uridine(aq)', 'kegg': 'kegg:C00299', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'uracil(aq)', 'kegg': 'kegg:C00106', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'thymidine(aq)', 'kegg': 'kegg:C00214', 'synonyms': []},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': \"2'-deoxyadenosine(aq)\", 'kegg': 'kegg:C00559', 'synonyms': []},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': \"2'-deoxyinosine(aq)\",\n", + " 'kegg': 'kegg:C05512',\n", + " 'synonyms': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"]},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': \"2'-deoxyadenosine(aq)\", 'kegg': 'kegg:C00559', 'synonyms': []},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'AMP(aq)',\n", + " 'kegg': 'kegg:C00020',\n", + " 'synonyms': ['AMP(aq)', 'AMP-2--(aq)', 'AMP']},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': '5-amino-4-imidazolecarboxamide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5-phospho-alpha-D-ribose 1-dipihosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': 'GMP(aq)',\n", + " 'kegg': 'kegg:C00144',\n", + " 'synonyms': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"]},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'IMP(aq)', 'kegg': 'kegg:C00130', 'synonyms': []},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'GMP(aq)',\n", + " 'kegg': 'kegg:C00144',\n", + " 'synonyms': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"]},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'IMP(aq)', 'kegg': 'kegg:C00130', 'synonyms': []},\n", + " ...]" + ] + }, + "execution_count": 33, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "ldict" + ] + }, + { + "cell_type": "code", + "execution_count": 34, + "id": "cf5ec847", + "metadata": {}, + "outputs": [], + "source": [ + "import requests, time, pickle, warnings, os\n", + "from copy import deepcopy" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "id": "2fbc6454", + "metadata": {}, + "outputs": [], + "source": [ + "cactus_url_dict = {\n", + " #'sdf': lambda x: f\"{cactus_root_url}/{x}/file?format=sdf\",\n", + " 'stdinchikey': lambda x: f\"{cactus_root_url}/{x}/stdinchikey\",\n", + " 'stdinchi': lambda x: f\"{cactus_root_url}/{x}/stdinchi\",\n", + " 'smiles': lambda x: f\"{cactus_root_url}/{x}/smiles\",\n", + " 'names': lambda x: f\"{cactus_root_url}/{x}/names\",\n", + " 'iupac_name': lambda x: f\"{cactus_root_url}/{x}/iupac_name\",\n", + " 'chemical_formula': lambda x: f\"{cactus_root_url}/{x}/formula\",\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 36, + "id": "f9269e09", + "metadata": {}, + "outputs": [], + "source": [ + "cactus_root_url = 'https://cactus.nci.nih.gov/chemical/structure'" + ] + }, + { + "cell_type": "code", + "execution_count": 37, + "id": "f049c904", + "metadata": {}, + "outputs": [], + "source": [ + "def get_cactus_info(name):\n", + " cactus_requests_dict = {}\n", + " try:\n", + " cactus_requests_dict = deepcopy(cactus_url_dict)\n", + " for k, v in cactus_url_dict.items():\n", + " try:\n", + " req = requests.get(v(name))\n", + " print(v(name))\n", + " assert(req.status_code == 200)\n", + " assert(isinstance(req.text, str))\n", + " cactus_requests_dict[k] = req.text # type: ignore\n", + " time.sleep(0.001)\n", + " except (requests.exceptions.RequestException, AssertionError):\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n", + " del cactus_requests_dict[k]\n", + " return cactus_requests_dict\n", + " except KeyboardInterrupt as e:\n", + " raise e\n", + " finally:\n", + " return cactus_requests_dict" + ] + }, + { + "cell_type": "code", + "execution_count": 38, + "id": "3b2b1c28", + "metadata": {}, + "outputs": [], + "source": [ + "compounds = list(dict.fromkeys(compounds))" + ] + }, + { + "cell_type": "code", + "execution_count": 44, + "id": "5555e096", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/names\n", + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/benzyl alcohol/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/names\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/NAD/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/names\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/benzaldehyde/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/names\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/NADH/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/names\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/1-butanol/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/names\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/butanal/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/names\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanol/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/names\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/cyclohexanone/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/names\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/ethanol/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/names\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/acetaldehyde/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/stdinchikey\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch stdinchikey from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/stdinchi\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch stdinchi from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/smiles\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch smiles from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/names\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch names from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/iupac_name\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch iupac_name from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NAD/formula\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_299964/1555304427.py:14: UserWarning: Unable to fetch chemical_formula from Cactus correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from Cactus correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/names\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/AP-NADH/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/smiles\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/names\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/iupac_name\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NAD/formula\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NADH/stdinchikey\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NADH/stdinchi\n", + "https://cactus.nci.nih.gov/chemical/structure/desamino NADH/smiles\n" + ] + }, + { + "ename": "PicklingError", + "evalue": "Can't pickle at 0x7fd5daa9d310>: attribute lookup on __main__ failed", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mPicklingError\u001b[0m Traceback (most recent call last)", + "\u001b[0;32m/tmp/ipykernel_299964/327005431.py\u001b[0m in \u001b[0;36m\u001b[0;34m\u001b[0m\n\u001b[1;32m 5\u001b[0m \u001b[0mcactus_dict\u001b[0m\u001b[0;34m[\u001b[0m\u001b[0mcpd\u001b[0m\u001b[0;34m]\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0mget_cactus_info\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mname\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m 6\u001b[0m \u001b[0;32mwith\u001b[0m \u001b[0mopen\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m'cactus_dict.pkl'\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;34m'wb'\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;32mas\u001b[0m \u001b[0mf\u001b[0m\u001b[0;34m:\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 7\u001b[0;31m \u001b[0mpickle\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mdump\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0mcactus_dict\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0mf\u001b[0m\u001b[0;34m)\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m", + "\u001b[0;31mPicklingError\u001b[0m: Can't pickle at 0x7fd5daa9d310>: attribute lookup on __main__ failed" + ] + } + ], + "source": [ + "cactus_dict = {}\n", + "for cpd in compounds:\n", + " name = cpd.replace('(aq)', '').replace('(l)', '')\n", + " name = name.replace('(ag)', '').replace('(sln)', '')\n", + " cactus_dict[cpd] = get_cactus_info(name)\n", + " with open('cactus_dict.pkl', 'wb') as f:\n", + " pickle.dump(cactus_dict, f)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "c0a7c37f", + "metadata": {}, + "outputs": [], + "source": [ + "for cpd in compounds:\n", + " if (cpd not in cactus_dict) or (not cactus_dict[cpd]):\n", + " name = cpd.replace('(aq)', '').replace('(l)', '')\n", + " name = name.replace('(ag)', '').replace('(sln)', '')\n", + " cactus_dict[cpd] = get_cactus_info(name)\n", + " with open('cactus_dict.pkl', 'wb') as f:\n", + " pickle.dump(cactus_dict, f)" + ] + }, + { + "cell_type": "code", + "execution_count": 45, + "id": "90f48d29", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "{'benzyl alcohol(aq)': {'stdinchikey': 'InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2', 'smiles': 'OCc1ccccc1', 'names': 'phenylmethanol\\n1336-27-2\\n185532-71-2\\n100-51-6\\nAromatic primary alcohol\\nC03485\\n305197_ALDRICH\\n4-06-00-02222 (Beilstein Handbook Reference)\\nAI3-01680\\nAlcohol bencilico [INN-Spanish]\\nAlcoholum benzylicum [INN-Latin]\\nAlcool benzilico [DCIT]\\nAlcool benzylique\\nAlcool benzylique [INN-French]\\nBRN 0878307\\nBenzoyl alcohol\\nBenzyl alcohol (natural)\\nBenzyl alcohol [USAN:INN:JAN]\\nBenzylicum\\nCCRIS 2081\\nCaswell No. 081F\\nEINECS 202-859-9\\nEPA Pesticide Chemical Code 009502\\nEuxyl K 100\\nFEMA No. 2137\\nHSDB 46\\nHydroxytoluene\\nNSC 8044\\nPhenolcarbinol\\nPhenylcarbinolum\\nalpha-Toluenol\\n(Hydroxymethyl)benzene\\nBENZYL-ALCOHOL\\nalpha-hydroxytoluene\\nbenzenemethanol\\nbenzyl alcohol\\nhydroxymethylbenzene\\nphenylcarbinol\\nPhenylmethyl alcohol\\nWLN: Q1R\\nLS-307\\nAIDS-009274\\nAIDS009274\\nbenzylic alcohol\\nBenzylalkohol\\nCHEBI:17987\\nalcoholum benzylicum\\nC00556\\nc0278\\n34460_RIEDEL\\n.alpha.-Hydroxytoluene\\n.alpha.-Toluenol\\nBenzal alcohol\\nBenzenecarbinol\\nBenzyl alcohol (JP15/NF/INN)\\n24122_RIEDEL\\nMethanol, phenyl-\\nD00077\\nNCI-C06111\\nInChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H\\nTOLUENE,ALPHA-HYDROXY\\n442481_SUPELCO\\nNSC8044\\n13160_FLUKA\\nNCGC00091865-01\\nW213705_ALDRICH\\n108006_ALDRICH\\n402834_SIAL\\nW213713_ALDRICH\\nbenzylalcohol', 'iupac_name': 'phenylmethanol', 'chemical_formula': 'C7H8O'}, 'NAD(aq)': {'stdinchikey': 'InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O', 'stdinchi': 'InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1', 'smiles': 'NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O', 'names': \"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate\\n[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate\\n[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate\\n[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate\\nBSPBio_000722\\nKBio2_006589\\nSpectrum2_001056\\nSPBio_001012\\nKBioSS_001453\\nSpectrum5_001291\\nSpectrum_000973\\nBPBio1_000796\\nPrestwick3_000741\\nKBio3_001561\\nC00003\\nSpectrum3_000511\\nIDI1_000189\\nKBio2_001453\\nKBio2_004021\\nNAI\\nKBioGR_000589\\nSpectrum4_000065\\nCHEBI:15846\\nNAD(+)\\nadenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}\\nBSPBio_002061\\nDivK1c_000189\\nD00002\\nNadide (JAN/USAN/INN)\\nTXD\\nNAJ\\nNAD\\nKBio1_000189\\nNINDS_000189\", 'iupac_name': '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate', 'chemical_formula': 'C21H28N7O14P2'}, 'benzaldehyde(aq)': {'stdinchikey': 'InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H', 'smiles': 'O=Cc1ccccc1', 'names': 'BENZALDEHYDE\\n100-52-7\\nArtificial Almond Oil\\nBenzadehyde\\nBenzaldehyde FFC\\nBenzenecarbonal\\nBenzenecarboxaldehyde\\nNCI-C56133\\nNSC7917\\nOil of Bitter Almond\\nPhenylmethanal\\nWLN: VHR\\nBenzaldehyde (NF)\\nD02314\\nNCGC00091819-01\\nbenzanoaldehyde\\n09143_FLUKA\\nAI3-09931\\nArtificial essential oil of almond\\nBenzaldehyde (natural)\\nBenzaldehyde [UN1990] [Class 9]\\nBenzaldehyde [USAN]\\nBenzene carbaldehyde\\nBenzene carboxaldehyde\\nBenzenemethylal\\nBitter almond oil, synthetic\\nCCRIS 2376\\nCaswell No. 076\\nEINECS 202-860-4\\nEPA Pesticide Chemical Code 008601\\nFEMA No. 2127\\nHSDB 388\\nNSC 7917\\nSynthetic oil of bitter almond\\nUN1990\\nghl.PD_Mitscher_leg0.170\\nST5213372\\nArtificial Bitter Almond Oil\\nBenzene methylal\\nBenzoyl hydride\\nc0279\\nBenzoic aldehyde\\nC00261\\nAld3.1-H_000479\\n12010_FLUKA\\nInChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6\\nLS-27\\nnchembio814-comp15\\nB1334_ALDRICH\\nAld3.1-H_000160\\nW212709_ALDRICH\\n418099_ALDRICH\\nAld3.1-H_000798\\nCHEBI:17169\\nAld3-H_000012\\nW212717_ALDRICH\\nAlmond Artificial Essential Oil', 'iupac_name': 'BENZALDEHYDE', 'chemical_formula': 'C7H6O'}, 'NADH(aq)': {'stdinchikey': 'InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)', 'smiles': 'NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O', 'names': \"[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate\\n[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate\\n[5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate\\n[[5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate\\n74927-11-0\\nDPNH\\nNAD-reduced\\nNADH\\nNADH+H+\\nNADH2\\ndihydrodiphosphopyridine nucleotide\\ndihydronicotinamide adenine dinucleotide\\ndiphosphopyridine nucleotide reduced\\nnicotinamide adenine dinucleotide reduced\\nD-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, 5-(trihydrogen diphosphate), 5-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide, (S)-\\nDihydronicotinamide formycin dinucleotide\\nNFDH\", 'iupac_name': '[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate', 'chemical_formula': 'C21H29N7O14P2'}, '1-butanol(aq)': {'stdinchikey': 'InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3', 'smiles': 'CCCCO', 'names': 'Butan-1-ol\\n107569-51-7\\n14254-05-8\\n42031-19-6\\n220713-25-7\\n35296-72-1\\n71-36-3\\nButyl hydroxide\\nButylowy alkohol\\nButyric alcohol\\nCCS 203\\nHemostyp\\nMethylolpropane\\nNSC62782\\nPropylcarbinol\\nPropylmethanol\\n1BO\\nn-Butan-1-ol\\nn-Butanolbutanolen\\n34867_SIAL\\nNCGC00090961-02\\n281549_ALDRICH\\nB7906_SIGMA\\nTin tetrabutanolate\\nLS-1603\\n154679_ALDRICH\\nCHEBI:28885\\nn-Butylalkohol\\n1-Butyl alcohol\\nAI3-00405\\nAlcool butylique [French]\\nButanol [French]\\nButanol, 1-\\nButanolen [Dutch]\\nButanolo [Italian]\\nButyl alcohol (natural)\\nButylowy alkohol [Polish]\\nButyric or normal primary butyl alcohol\\nCCRIS 4321\\nEINECS 200-751-6\\nFEMA No. 2178\\nFEMA Number 2178\\nWLN: Q4\\nNSC 62782\\nNormal primary butyl alcohol\\nPropyl carbinol\\nRCRA waste no. U031\\nRCRA waste number U031\\nBuOH\\n19422_FLUKA\\n442665_SUPELCO\\nHSDB 48\\nNCGC00090961-01\\nW217808_ALDRICH\\nC06142\\nButyl alcohol (NF)\\nD03200\\n33065_RIEDEL\\n24124_RIEDEL\\nST5214468\\n537993_ALDRICH\\nEINECS 238-128-6\\n360465_SIAL\\nW217816_ALDRICH\\nZINC01530354\\n1-butanol\\n1-hydroxybutane\\nBUTANOL\\nn-butanol\\nn-butyl alcohol\\nInChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H\\nAlcool butylique\\nButanolo\\nButyl alcohol', 'iupac_name': 'Butan-1-ol', 'chemical_formula': 'C4H10O'}, 'butanal(aq)': {'stdinchikey': 'InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3', 'smiles': 'CCCC=O', 'names': 'BUTANAL\\nbutyraldehyde\\n123-72-8\\nNCGC00091658-01\\n4-01-00-03229 (Beilstein Handbook Reference)\\nAI3-24198\\nAldehyde butyrique [French]\\nAldeide butirrica [Italian]\\nBRN 0506061\\nButylaldehyde\\nButyraldehyd [German]\\nButyraldehyde (crude)\\nButyraldehyde [UN1129] [Flammable liquid]\\nCCRIS 3221\\nEINECS 204-646-6\\nFEMA Number 2219\\nHSDB 2798\\nNSC 62779\\nUN1129\\nZINC01529195\\nW221902_ALDRICH\\nW221910_ALDRICH\\nBUTANAL N-BUTYRALDEHYDE\\nInChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H\\n418102_ALDRICH\\nC01412\\n538191_SIAL\\nn-Butylaldehyde\\nAldehyde butyrique\\nAldeide butirrica\\nButal\\nButaldehyde\\nButalyde\\nButanaldehyde\\nButyl aldehyde\\nButyral\\nButyraldehyd\\nButyraldehyde(CZECH\\nButyric aldehyde\\nButyrylaldehyde\\nNCI-C56291\\nNSC62779\\nWLN: VH3\\nn-Butanal\\nn-Butyl aldehyde\\n20710_FLUKA\\nCHEBI:15743\\n1-butanal\\nn-butyraldehyde\\n20711_FLUKA', 'iupac_name': 'BUTANAL', 'chemical_formula': 'C4H8O'}, 'cyclohexanol(aq)': {'stdinchikey': 'InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2', 'smiles': 'OC1CCCCC1', 'names': 'Cyclohexanol\\n108-93-0\\nCCRIS 5896\\nCicloesanolo [Italian]\\nCyclohexanone cyclohexanol mixture\\n24217_RIEDEL\\nCyclohexyl alcohol\\nNCGC00090982-01\\nc0175\\nCykloheksanol [Polish]\\nCHEBI:18099\\n1-Cyclohexanol\\n4-06-00-00020 (Beilstein Handbook Reference)\\nAI3-00040\\nAdronal\\nAdronol\\nAnol\\nBRN 0906744\\nC00854\\nCyclohexan-1-ol\\nHexahydrophenol\\nHexalin\\nEINECS 203-630-6\\nHSDB 61\\nHydralin\\nHydrophenol\\nHydroxycyclohexane\\nNSC 403656\\nNaxol\\nPhenol, hexahydro-\\nNSC403656\\n29100_FLUKA\\nCXL\\nCicloesanolo\\nCykloheksanol\\n105899_SIAL\\nWLN: L6TJ AQ', 'iupac_name': 'Cyclohexanol', 'chemical_formula': 'C6H12O'}, 'cyclohexanone(aq)': {'stdinchikey': 'InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2', 'smiles': 'O=C1CCCCC1', 'names': 'Cyclohexanone\\n11119-77-0\\n9003-41-2\\n9075-99-4\\n108-94-1\\n29135_FLUKA\\n398241_SIAL\\nW390909_ALDRICH\\n442532_SUPELCO\\nAnon\\nAnone\\nCicloesanone\\nCyclohexanon\\nCykloheksanon\\nHexanon\\nHytrol O\\nKetohexamethylene\\nNCI-C55005\\nNSC5711\\nNadone\\nPimelic ketone\\nPimelin ketone\\nSextone\\nWLN: L6VTJ\\nCyclohexanone, homopolymer\\nST5214418\\nC00414\\nCYH\\nInChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H\\nketocyclohexane\\noxocyclohexane\\nZINC04528575\\nAI3-00041\\nCCRIS 5897\\nCaswell No. 270\\nCicloesanone [Italian]\\nCyclohexanon [Dutch]\\nCyclohexanone [UN1915] [Flammable liquid]\\nCykloheksanon [Polish]\\nEINECS 203-631-1\\nEPA Pesticide Chemical Code 025902\\nHSDB 186\\nNSC 5711\\nRCRA waste no. U057\\nRCRA waste number U057\\nUN1915\\nCHEBI:17854\\nNCGC00091786-01\\nC02019\\nCyclic ketone\\n29140_FLUKA\\nHytrolo\\nc0195\\n02482_FLUKA\\nC102180_SIAL', 'iupac_name': 'Cyclohexanone', 'chemical_formula': 'C6H10O'}, 'ethanol(aq)': {'stdinchikey': 'InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3', 'smiles': 'CCO', 'names': 'ethanol\\n121182-78-3\\n64-17-5\\n8024-45-1\\n8000-16-6\\n68475-56-9\\n71076-86-3\\n71329-38-9\\nEthyl alcohol & water, 50%\\nEthyl alcohol & water, 60%\\nEthyl alcohol & water, 70%\\nEthyl alcohol & water, 80%\\nEthyl alcohol & water, 95%\\nEthyl alcohol & water, 96%\\nEthyl alcohol, anhydrous\\nEthyl hydrate\\nEthyl hydroxide\\nEthylalcohol\\nEtylowy alkohol\\nFermentation alcohol\\nJaysol\\nJaysol S\\nMolasses alcohol\\nNCI-C03134\\nNSC85228\\nPotato alcohol\\nSD Alchol 23-hydrogen\\nSpirits of wine\\nSpirt\\nTecsol\\nThanol\\nWLN: Q2\\nAbsolute ethyl alcohol\\n459828_ALDRICH\\n02878_FLUKA\\n187380_ALDRICH\\n02882_FLUKA\\n02883_FLUKA\\n459836_ALDRICH\\nUK Industrial methylated spirit\\n02884_FLUKA\\nAlcare Hand Degermer\\n(C6-C9)Alkyl alcohol\\nAlcohols, C6-9\\n02890_FLUKA\\n34963_RIEDEL\\nD00068\\nDehydrated ethanol (JP15)\\nDehydrated ethanol (TN)\\n02891_FLUKA\\n676829_SIAL\\nAlcohols, C1-3\\nAnti-EphB1 (ELK Receptor)-CY antibody produced in sheep\\nHigher alcohol distillate\\nE7517_SIGMA\\n02875_FLUKA\\n[CH2Me(OH)]\\nc0038\\ncologne spirits (alcohol)\\nsd alcohol 23-hydrogen\\nspirit\\nD06542\\nEthanol (JP15)\\nEthanol (TN)\\nEOH\\n24102_RIEDEL\\n41322_FLUKA\\nEOX\\nETHYLOXY GROUP\\n24103_RIEDEL\\n39278_FLUKA\\n02877_FLUKA\\nCDA 19\\n270741_ALDRICH\\n24105_RIEDEL\\n493511_SIAL\\nalcohol etilico\\n493538_ALDRICH\\n277649_ALDRICH\\nEthanol Fixative 80% v/v\\n24106_RIEDEL\\n493546_ALDRICH\\nAIDS006139\\nOXA\\nOXYDIMETHYLENE GROUP\\n32294_RIEDEL\\n32205_RIEDEL\\nHYDROXYETHYL GROUP\\nEthicap\\n02857_FLUKA\\n29221_FLUKA\\n40210_RIEDEL\\n02858_FLUKA\\n245119_ALDRICH\\nAlcohols, C>30\\n24194_RIEDEL\\nSY Fresh M\\n02870_FLUKA\\nDuplicating Fluid 100C.NPA\\n02860_FLUKA\\n32221_RIEDEL\\nAIDS-006139\\nQMHAIh@\\nEsumiru WK 88\\n459844_SIAL\\n100C.NPA\\nC2H5OH\\nCHEBI:16236\\nC00469\\nDehydrated ethanol\\nMethylcarbinol\\netanol\\nspiritus vini\\n48075_SUPELCO\\nInChI=1/C2H6O/c1-2-3/h3H,2H2,1H\\nETOH\\nabsolute alcohol\\nalcohol\\nAlkohol\\nAnhydrol\\n2858_SIGMA\\nCologne spirit\\nHinetoless\\nMethylated spirit\\n[OEtH]\\nAlcohol (USP)\\n1-Hydroxyethane\\nAI3-01706\\nAethanol [German]\\nAethylalkohol [German]\\nAlcohol (ethyl alcohol)\\nAlcohol dehydrated\\nAlcohol, ethyl\\nAlcool ethylique [French]\\nAlcool etilico [Italian]\\nAlkohol [German]\\nAlkoholu etylowego [Polish]\\nCCRIS 945\\nCaswell No. 430\\nDenatured alcohol\\nDistilled spirits\\nEINECS 200-578-6\\nEPA Pesticide Chemical Code 001501\\nEtanolo [Italian]\\nEthanol solution\\nEthanol, undenatured\\nEthyl alcohol and water\\nEthyl alcohol anhydrous\\nEthyl alcohol in alcoholic beverages\\nEthyl alcohol usp\\nEthyl alcohol, undenatured\\nEthylalcohol [Dutch]\\nEtylowy alkohol [Polish]\\nFEMA No. 2419\\nFEMA Number 2419\\nHSDB 82\\nHydroxyethane\\nNSC 85228\\nAHD 2000\\nSDM No. 37\\nTecsol C\\nEthanol (9CI)\\n02483_FLUKA\\nEthyl alcohol (6CI,7CI,8CI)\\nE2385_SIGMA\\nIMS 99\\nInfinity Pure\\nLux\\nSDA 3A\\nSDA 40-2\\nEthanol standards 10% (v/v)\\nSekundasprit\\nSynasol\\n458600_ALDRICH\\nNCGC00091458-01\\nAnhydrol PM 4085\\nE7023_ALDRICH\\nAnhydrous alcohol\\nE7148_ALDRICH\\n02865_FLUKA\\n02851_FLUKA\\n02853_FLUKA\\n34870_SIAL\\nCDA 19-200\\n02854_FLUKA\\nDehydrated alcohol\\n02855_FLUKA\\nDesinfektol EL\\n02856_FLUKA\\nZINC04795012\\nEINECS 270-649-4\\nAbsolute ethanol\\nAethanol\\nAethylalkohol\\nAlcohol, anhydrous\\nAlcohol, dehydrated\\nAlcohol, diluted\\nAlcohols\\nAlcool ethylique\\nAlcool etilico\\nAlgrain\\nethyl alcohol\\ngrain alcohol\\nCologne spirits\\nDenatured alcohol CD-10\\nDenatured alcohol CD-5\\nDenatured alcohol CD-5a\\nDenatured alcohol SD-1\\nDenatured alcohol SD-13a\\nDenatured alcohol SD-17\\nDenatured alcohol SD-23a\\nDenatured alcohol SD-28\\nDenatured alcohol SD-30\\nDenatured alcohol SD-39b\\nDenatured alcohol SD-39c\\nDenatured alcohol SD-3a\\nDenatured alcohol SD-40m\\nDenatured ethanol\\nEtanolo\\nEthanol 200 proof\\nEthyl alc\\nEthyl alcohol & water, 10%\\nEthyl alcohol & water, 20%\\nEthyl alcohol & water, 30%\\nEthyl alcohol & water, 40%\\nEthyl alcohol & water, 5%', 'iupac_name': 'ethanol', 'chemical_formula': 'C2H6O'}, 'acetaldehyde(aq)': {'stdinchikey': 'InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N', 'stdinchi': 'InChI=1S/C2H4O/c1-2-3/h2H,1H3', 'smiles': 'CC=O', 'names': 'acetaldehyde\\nethanal\\n75-07-0\\nNCI-C56326\\nPS2030_SUPELCO\\nNSC7594\\nNCGC00091753-01\\nOctowy aldehyd\\nMETALDEHYDE\\nInChI=1/C2H4O/c1-2-3/h2H,1H\\nWLN: VH1\\n402788_SIAL\\nEthylaldehyde\\nc0160\\nW200336_ALDRICH\\nW200301_ALDRICH\\nAcetaldehyde solution\\nW200298_ALDRICH\\nAI3-31167\\nAcetaldehyd [German]\\nAcetaldehyde (natural)\\nAcetaldehyde [UN1089] [Flammable liquid]\\nAcetic ethanol\\nAcetylaldehyde\\nAldehyde acetique [French]\\nAldeide acetica [Italian]\\nCCRIS 1396\\nEINECS 200-836-8\\nFEMA No. 2003\\nHSDB 230\\nNSC 7594\\nOctowy aldehyd [Polish]\\nRCRA waste no. U001\\nRCRA waste number U001\\nUN1089\\n36611_RIEDEL\\nAcetaldehyde polymerized\\nAcetaldehyd\\nAcetaldeyde\\nAldehyde acetique\\nAldeide acetica\\nacetic aldehyde\\naldehyde\\nethyl aldehyde\\nW200352_ALDRICH\\n506788_SUPELCO\\nAzetaldehyd\\nCHEBI:15343\\nW200344_ALDRICH\\n00070_FLUKA\\nQMHAIX@\\nW200379_ALDRICH\\nCH2CHO\\nW200387_ALDRICH\\nLS-1654\\n00071_FLUKA\\nW200328_ALDRICH\\nethaldehyde\\n63990_FLUKA\\nacetaldehydes\\nW200360_ALDRICH\\nC00084\\nACETALD\\nACETYL GROUP', 'iupac_name': 'acetaldehyde', 'chemical_formula': 'C2H4O'}, 'AP-NAD(aq)': {}, 'AP-NADH(aq)': {}, 'desamino NAD(aq)': {}, 'desamino NADH(aq)': {}, '1-hexanol': {}, 'NAD': {}, 'hexanal': {}, 'NADH': {}, 'cis-3-hexene-1-ol(aq)': {}, 'cis-3-hexenal(aq)': {}, 'trans-2-hexen-1-ol': {}, 'trans-2-hexenal': {}, '1-nonanol': {}, 'nonanal': {}, '1-octanol(aq)': {}, 'octanal(aq)': {}, '1-propanol(aq)': {}, 'propanal(aq)': {}, '2-propanol(aq)': {}, 'acetone(aq)': {}, 'vitamin A alcohol(aq)': {'names': at 0x7fd5daa9d310>, 'iupac_name': at 0x7fd5daa9d3a0>, 'chemical_formula': at 0x7fd5daa9d430>}}\n" + ] + } + ], + "source": [ + "print(cactus_dict)" + ] + }, + { + "cell_type": "code", + "execution_count": 50, + "id": "82355ff9", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "31 1052\n" + ] + } + ], + "source": [ + "print(len(cactus_dict), len(compounds)) # once requests finished, should be same" + ] + }, + { + "cell_type": "code", + "execution_count": 46, + "id": "32106ce9", + "metadata": {}, + "outputs": [], + "source": [ + "cpid['(deoxyribonucleotide)_n(aq)'] = 'kegg:C00039'\n", + "cpid['(deoxyribonucleotide)_m(aq)'] = 'kegg:C00039'\n", + "cpid['(deoxyribonucleotide)_m+n(aq)'] = 'kegg:C00039'" + ] + }, + { + "cell_type": "code", + "execution_count": 60, + "id": "53f5f2b4", + "metadata": {}, + "outputs": [], + "source": [ + "with open('cactus_dict.pkl', 'wb') as f:\n", + " pickle.dump(cactus_dict, f)" + ] + }, + { + "cell_type": "markdown", + "id": "94ba5344", + "metadata": {}, + "source": [ + "## Resolve the remaining compounds with pubchem synonyms" + ] + }, + { + "cell_type": "code", + "execution_count": 47, + "id": "792bdfea", + "metadata": {}, + "outputs": [], + "source": [ + "pubchem_root = 'https://pubchem.ncbi.nlm.nih.gov/rest/rdf/query?'\n", + "pubchem_url_dict = {\n", + " 'pubchem_cpd': f'{pubchem_root}graph=synonym&name={name}&contain=true&return=compound&format=csv&limit=1',\n", + " 'pubchem_subs': f'{pubchem_root}graph=synonym&name={name}&contain=true&return=substance&format=csv&limit=1',\n", + " 'pubchem_subs_to_cpd': f'{pubchem_root}graph=synonym&name={name}&contain=true&return=substance&format=csv&limit=1'\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 48, + "id": "4ef36312", + "metadata": {}, + "outputs": [], + "source": [ + "def get_pubchem_info(name):\n", + " pubchem_requests_dict = {}\n", + " try:\n", + " pubchem_requests_dict = deepcopy(pubchem_url_dict)\n", + " for k, v in pubchem_url_dict.items():\n", + " try:\n", + " req = requests.get(v(name))\n", + " print(v(name))\n", + " assert(req.status_code == 200)\n", + " assert(isinstance(req.text, str))\n", + " pubchem_requests_dict[k] = req.text # type: ignore\n", + " time.sleep(0.001)\n", + " except (requests.exceptions.RequestException, AssertionError):\n", + " warnings.warn(f\"Unable to fetch {k} from Pubchem correspondance URL\")\n", + " del pubchem_requests_dict[k]\n", + " return pubchem_requests_dict\n", + " except KeyboardInterrupt as e:\n", + " raise e\n", + " finally:\n", + " return pubchem_requests_dict" + ] + }, + { + "cell_type": "code", + "execution_count": 49, + "id": "ef57df06", + "metadata": { + "scrolled": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "desamino NAD(aq)\n", + "desamino NADH(aq)\n", + "1-hexanol\n", + "hexanal\n", + "NADH\n", + "trans-2-hexen-1-ol\n", + "trans-2-hexenal\n", + "1-nonanol\n", + "nonanal\n" + ] + } + ], + "source": [ + "pubchem_id = {}\n", + "for x, v in cactus_dict.items():\n", + " if not v and not (x in cpid): \n", + " print(x)\n", + " ## get_pubchem_info()" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "63f799ae", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.13" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/maxime/TECR-Hackathon-KEGG-CheBI.ipynb b/maxime/TECR-Hackathon-KEGG-CheBI.ipynb new file mode 100644 index 0000000..0023e57 --- /dev/null +++ b/maxime/TECR-Hackathon-KEGG-CheBI.ipynb @@ -0,0 +1,16624 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 65, + "id": "a7ae9be5", + "metadata": {}, + "outputs": [], + "source": [ + "import pandas" + ] + }, + { + "cell_type": "code", + "execution_count": 66, + "id": "05e3b4c5", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Requirement already satisfied: odfpy in /home/maxime/anaconda3/lib/python3.9/site-packages (1.4.1)\n", + "Requirement already satisfied: defusedxml in /home/maxime/anaconda3/lib/python3.9/site-packages (from odfpy) (0.7.1)\n" + ] + } + ], + "source": [ + "!pip install odfpy" + ] + }, + { + "cell_type": "markdown", + "id": "47e02499", + "metadata": {}, + "source": [ + "### Cross linking Robert and Elad's files" + ] + }, + { + "cell_type": "code", + "execution_count": 67, + "id": "aaa20859", + "metadata": {}, + "outputs": [], + "source": [ + "dfelad = pandas.read_csv('TECRDB.csv')" + ] + }, + { + "cell_type": "code", + "execution_count": 68, + "id": "b3dfbddd", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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idurlreferencemethodevalECenzyme_namereactiondescriptionKK_primetemperatureionic_strengthp_hp_mg
0https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...07LIN/ALGspectrophotometryA1.1.1.87homoisocitrate dehydrogenasekegg:C05662 + kegg:C00003 = kegg:C00322 + kegg...(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(a...NaN0.450298.15NaN7.5NaN
1https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...63GREspectrophotometryC3.5.4.9methenyltetrahydrofolate cyclohydrolasekegg:C00445 + kegg:C00001 = kegg:C002345,10-methenyltetrahydrofolate(aq) + H2O(l) = 1...NaN4.200298.15NaN6.5NaN
2https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN18.000310.15NaN7.32.96
3https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN25.000310.15NaN7.32.80
4https://w3id.org/related-to/doi.org/10.5281/ze...http://xpdb.nist.gov/enzyme_thermodynamics/enz...67ENG/DENspectrophotometryB4.2.1.3aconitate hydratasekegg:C00311 = kegg:C00158isocitrate(aq) = citrate(aq)NaN33.000310.15NaN7.32.30
................................................
4539https://w3id.org/related-to/doi.org/10.5281/ze...NaN+92MEYNaNE4.1.1.21phosphoribosylaminoimidazole carboxylasekegg:C03373 + kegg:C00288 = kegg:C04751 + kegg...Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D...NaN1.800310.15NaN7.8NaN
4540https://w3id.org/related-to/doi.org/10.5281/ze...NaN+00WALNaNE2.1.2.3phosphoribosylaminoimidazolecarboxamide formyl...kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg...10-Formyltetrahydrofolate + 1-(5'-Phosphoribos...NaN0.024298.15NaN7.5NaN
4541https://w3id.org/related-to/doi.org/10.5281/ze...NaN+59BLANaNE4.3.-.-formaldehyde condensation with THFkegg:C00101 + kegg:C00067 = kegg:C00143THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)NaN7700.000293.15NaN7.2NaN
4542https://w3id.org/related-to/doi.org/10.5281/ze...NaN+74FERNaNE4.1.2.433-Hexulose-6-Phosphate synthasekegg:C00199 + kegg:C00067 = kegg:C06019D-Ribulose 5-phosphate + Formaldehyde = D-arab...NaN25000.000303.15NaN7.0NaN
4543https://w3id.org/related-to/doi.org/10.5281/ze...NaN+74FERNaNE5.3.1.273-Hexulose-6-Phosphate Isomerasekegg:C06019 = kegg:C00085D-arabino-Hex-3-ulose 6-phosphate = D-Fructose...NaN188.000303.15NaN7.0NaN
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4544 rows × 15 columns

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" + ], + "text/plain": [ + " id \n", + "0 https://w3id.org/related-to/doi.org/10.5281/ze... \\\n", + "1 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "2 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "3 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "4 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "... ... \n", + "4539 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "4540 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "4541 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "4542 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "4543 https://w3id.org/related-to/doi.org/10.5281/ze... \n", + "\n", + " url reference \n", + "0 http://xpdb.nist.gov/enzyme_thermodynamics/enz... 07LIN/ALG \\\n", + "1 http://xpdb.nist.gov/enzyme_thermodynamics/enz... 63GRE \n", + "2 http://xpdb.nist.gov/enzyme_thermodynamics/enz... 67ENG/DEN \n", + "3 http://xpdb.nist.gov/enzyme_thermodynamics/enz... 67ENG/DEN \n", + "4 http://xpdb.nist.gov/enzyme_thermodynamics/enz... 67ENG/DEN \n", + "... ... ... \n", + "4539 NaN +92MEY \n", + "4540 NaN +00WAL \n", + "4541 NaN +59BLA \n", + "4542 NaN +74FER \n", + "4543 NaN +74FER \n", + "\n", + " method eval EC \n", + "0 spectrophotometry A 1.1.1.87 \\\n", + "1 spectrophotometry C 3.5.4.9 \n", + "2 spectrophotometry B 4.2.1.3 \n", + "3 spectrophotometry B 4.2.1.3 \n", + "4 spectrophotometry B 4.2.1.3 \n", + "... ... ... ... \n", + "4539 NaN E 4.1.1.21 \n", + "4540 NaN E 2.1.2.3 \n", + "4541 NaN E 4.3.-.- \n", + "4542 NaN E 4.1.2.43 \n", + "4543 NaN E 5.3.1.27 \n", + "\n", + " enzyme_name \n", + "0 homoisocitrate dehydrogenase \\\n", + "1 methenyltetrahydrofolate cyclohydrolase \n", + "2 aconitate hydratase \n", + "3 aconitate hydratase \n", + "4 aconitate hydratase \n", + "... ... \n", + "4539 phosphoribosylaminoimidazole carboxylase \n", + "4540 phosphoribosylaminoimidazolecarboxamide formyl... \n", + "4541 formaldehyde condensation with THF \n", + "4542 3-Hexulose-6-Phosphate synthase \n", + "4543 3-Hexulose-6-Phosphate Isomerase \n", + "\n", + " reaction \n", + "0 kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg... \\\n", + "1 kegg:C00445 + kegg:C00001 = kegg:C00234 \n", + "2 kegg:C00311 = kegg:C00158 \n", + "3 kegg:C00311 = kegg:C00158 \n", + "4 kegg:C00311 = kegg:C00158 \n", + "... ... \n", + "4539 kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg... \n", + "4540 kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg... \n", + "4541 kegg:C00101 + kegg:C00067 = kegg:C00143 \n", + "4542 kegg:C00199 + kegg:C00067 = kegg:C06019 \n", + "4543 kegg:C06019 = kegg:C00085 \n", + "\n", + " description K K_prime \n", + "0 (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(a... NaN 0.450 \\\n", + "1 5,10-methenyltetrahydrofolate(aq) + H2O(l) = 1... NaN 4.200 \n", + "2 isocitrate(aq) = citrate(aq) NaN 18.000 \n", + "3 isocitrate(aq) = citrate(aq) NaN 25.000 \n", + "4 isocitrate(aq) = citrate(aq) NaN 33.000 \n", + "... ... .. ... \n", + "4539 Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D... NaN 1.800 \n", + "4540 10-Formyltetrahydrofolate + 1-(5'-Phosphoribos... NaN 0.024 \n", + "4541 THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq) NaN 7700.000 \n", + "4542 D-Ribulose 5-phosphate + Formaldehyde = D-arab... NaN 25000.000 \n", + "4543 D-arabino-Hex-3-ulose 6-phosphate = D-Fructose... NaN 188.000 \n", + "\n", + " temperature ionic_strength p_h p_mg \n", + "0 298.15 NaN 7.5 NaN \n", + "1 298.15 NaN 6.5 NaN \n", + "2 310.15 NaN 7.3 2.96 \n", + "3 310.15 NaN 7.3 2.80 \n", + "4 310.15 NaN 7.3 2.30 \n", + "... ... ... ... ... \n", + "4539 310.15 NaN 7.8 NaN \n", + "4540 298.15 NaN 7.5 NaN \n", + "4541 293.15 NaN 7.2 NaN \n", + "4542 303.15 NaN 7.0 NaN \n", + "4543 303.15 NaN 7.0 NaN \n", + "\n", + "[4544 rows x 15 columns]" + ] + }, + "execution_count": 68, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "dfelad" + ] + }, + { + "cell_type": "markdown", + "id": "f6351d9f", + "metadata": {}, + "source": [ + "# TECR" + ] + }, + { + "cell_type": "code", + "execution_count": 69, + "id": "b37b03af", + "metadata": {}, + "outputs": [], + "source": [ + "dftful = pandas.read_excel('openTECR recuration.ods', sheet_name='actual data')" + ] + }, + { + "cell_type": "code", + "execution_count": 70, + "id": "9f261cb1", + "metadata": {}, + "outputs": [], + "source": [ + "def get_data(rxn, alt='reaction'):\n", + " if pandas.isna(rxn) or not rxn:\n", + " return numpy.NaN\n", + " nb = len(\"https://w3id.org/related-to/doi.org/10.5281/zenodo.3978439/files/TECRDB.csv#entry\")\n", + " idf = int(rxn[nb:])\n", + " return dfelad.loc[idf-1][alt] # rxn = 1-based; pandas = 0-based" + ] + }, + { + "cell_type": "code", + "execution_count": 71, + "id": "58b41c96", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy" + ] + }, + { + "cell_type": "code", + "execution_count": 72, + "id": "09f50671", + "metadata": {}, + "outputs": [], + "source": [ + "dftful['rname'] = dftful['id'].apply(lambda x: get_data(x, alt='description'))\n", + "dftful['keggrxn'] = dftful['id'].apply(lambda x: get_data(x, alt='reaction'))" + ] + }, + { + "cell_type": "code", + "execution_count": 73, + "id": "be723851", + "metadata": {}, + "outputs": [], + "source": [ + "dftful['test'] = (dftful['rname'] == dftful['reaction'])" + ] + }, + { + "cell_type": "code", + "execution_count": 74, + "id": "69896edc", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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rnamereactiontest
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keggrxnreaction
0kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
1kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
2kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
3kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
4kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg...benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq...
.........
5740kegg:C00101 + kegg:C00067 = kegg:C00143THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)
5741kegg:C00199 + kegg:C00067 = kegg:C06019D-Ribulose 5-phosphate + Formaldehyde = D-arab...
5742kegg:C06019 = kegg:C00085D-arabino-Hex-3-ulose 6-phosphate = D-Fructose...
5743kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg...,-trehalose 6-phosphate(aq) + orthophosphate(a...
5744kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg...,-trehalose 6-phosphate(aq) + orthophosphate(a...
\n", + "

5745 rows × 2 columns

\n", + "
" + ], + "text/plain": [ + " keggrxn \n", + "0 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \\\n", + "1 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "2 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "3 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "4 kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg... \n", + "... ... \n", + "5740 kegg:C00101 + kegg:C00067 = kegg:C00143 \n", + "5741 kegg:C00199 + kegg:C00067 = kegg:C06019 \n", + "5742 kegg:C06019 = kegg:C00085 \n", + "5743 kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg... \n", + "5744 kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg... \n", + "\n", + " reaction \n", + "0 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "1 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "2 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "3 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "4 benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq... \n", + "... ... \n", + "5740 THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq) \n", + "5741 D-Ribulose 5-phosphate + Formaldehyde = D-arab... \n", + "5742 D-arabino-Hex-3-ulose 6-phosphate = D-Fructose... \n", + "5743 ,-trehalose 6-phosphate(aq) + orthophosphate(a... \n", + "5744 ,-trehalose 6-phosphate(aq) + orthophosphate(a... \n", + "\n", + "[5745 rows x 2 columns]" + ] + }, + "execution_count": 75, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "dftful[['keggrxn','reaction']]" + ] + }, + { + "cell_type": "code", + "execution_count": 76, + "id": "6df9e268", + "metadata": {}, + "outputs": [], + "source": [ + "rxn = list(map(tuple, dftful[['keggrxn','reaction']].values))" + ] + }, + { + "cell_type": "code", + "execution_count": 77, + "id": "b155091f", + "metadata": { + "scrolled": false + }, + "outputs": [], + "source": [ + "rxn = list(dict.fromkeys(rxn)) # preserve order" + ] + }, + { + "cell_type": "code", + "execution_count": 78, + "id": "6e876d13", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, nan),\n", + " (nan, 'glycolate + NAD = ...'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan, '2,4-dihydroxybutanoate(aq) + NAD(aq) = ...'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) '),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) '),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin + H2o = ampicillinoic acid'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan, 'phenoxymethylpenicillin'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan, '2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan, '2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) '),\n", + " (nan, 'ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) '),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) '),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)'),\n", + " (nan, 'butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) '),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) '),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) '),\n", + " (nan,\n", + " '1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) '),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) '),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) '),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) '),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) '),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) '),\n", + " (nan, 'N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) '),\n", + " (nan, 'N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) '),\n", + " (nan, 'N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) '),\n", + " (nan, 'N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) '),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 78, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "rxn" + ] + }, + { + "cell_type": "code", + "execution_count": 79, + "id": "484e711f", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy" + ] + }, + { + "cell_type": "code", + "execution_count": 80, + "id": "f2dd19b0", + "metadata": {}, + "outputs": [], + "source": [ + "import re" + ] + }, + { + "cell_type": "markdown", + "id": "3080dbb2", + "metadata": {}, + "source": [ + "### Reviewing the new stuff -- it's full of incoherent spacing around symbols and additional spaces" + ] + }, + { + "cell_type": "code", + "execution_count": 81, + "id": "5e406dc7", + "metadata": {}, + "outputs": [], + "source": [ + "dict_errors = {\n", + " 'H 20': 'H2O',\n", + " 'H20': 'H2O',\n", + " 'n -decanoic acid': 'n-decanoic acid',\n", + " ', ': ',',\n", + " 'L-glutamatea': 'L-glutamate(aq)',\n", + " 'methanol -': 'methanol-'\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 89, + "id": "cca8b0e1", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, nan),\n", + " (nan, 'glycolate + NAD = ...'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan, '2,4-dihydroxybutanoate(aq) + NAD(aq) = ...'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) '),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) '),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin + H2o = ampicillinoic acid'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan, 'phenoxymethylpenicillin'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan, '2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan, '2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) '),\n", + " (nan, 'ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) '),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) '),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)'),\n", + " (nan, 'butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) '),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) '),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) '),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) '),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) '),\n", + " (nan,\n", + " '1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) '),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) '),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) '),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) '),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) '),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) '),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) '),\n", + " (nan, 'N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) '),\n", + " (nan, 'N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) '),\n", + " (nan, 'N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) '),\n", + " (nan, 'N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) '),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 89, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "rxn" + ] + }, + { + "cell_type": "code", + "execution_count": 107, + "id": "7dae7b13", + "metadata": {}, + "outputs": [], + "source": [ + "known_errors = {\n", + " #equal_errors\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)':\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)',\n", + " 'phenoxymethylpenicillin': 'phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)',\n", + " 'D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!':\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)',\n", + " \"butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)\":\n", + " \"butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)\",\n", + " \"2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)\":\n", + " \"2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(l)\",\n", + " \"n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)\":\n", + " \"n-octanoic acid glycerol monoester(sln) + H2O(sln) = n-octanoic acid(sln) + glycerol(sln)\",\n", + " \"glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\":\n", + " \"glycine(aq) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)\",\n", + " \"Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq)\":\n", + " \"γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)\",\n", + " \"glycolate + NAD = ...\": \"glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)\",\n", + " \"2,4-dihydroxybutanoate(aq) + NAD(aq) = ...\": \"2,4-dihydroxybutanoate(aq) + NAD(aq) = 2-oxo-4-hydroxybutanoate(aq) + NADH(aq)\",\n", + " #other_errors \n", + " 'ampicillin + H2o = ampicillinoic acid': 'ampicillin(aq) + H2O(l) = ampicillinoic acid(aq)',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine': 'pantothenate(aq) + H2O(l) = pantoic acid(aq) + beta-alanine(aq)'\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 108, + "id": "5f40693c", + "metadata": { + "scrolled": false + }, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "New: glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)\n", + "Old: glycolate + NAD = ...\n", + "---\n", + "New: 2,4-dihydroxybutanoate(aq) + NAD(aq) = 2-oxo-4-hydroxybutanoate(aq) + NADH(aq)\n", + "Old: 2,4-dihydroxybutanoate(aq) + NAD(aq) = ...\n", + "---\n", + "New: (3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)\n", + "Old: (3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) -3-oxobutanoyl-[ acyl-carrier protein](aq) + NADPH(aq)\n", + "---\n", + "New: 2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(l)\n", + "Old: 2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)\n", + "---\n", + "New: n-decanoic acid glycerol qiester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol monoester(sln)\n", + "Old: n-decanoic acid glycerol qiester(sln) + H20(sln) = n-decanoic acid(sln) +n -decanoic acid glycerol monoester(sln)\n", + "---\n", + "New: n-decanoic acid glycerol monoester(sln) + H2O(sln) = n-decanoic acid(sln) + glycerol(sln)\n", + "Old: n-decanoic acid glycerol monoester(sln) + H20(sln) = n-decanoic acid(sln) +glycerol(sln) \n", + "---\n", + "New: n-decanoic acid glycerol triester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol diester(sln)\n", + "Old: n-decanoic acid glycerol triester(sln) + H20(sln) = n-decanoic acid(sln) +n-decanoic acid glycerol diester(sln)\n", + "---\n", + "New: n-octanoic acid glycerol diester(sln) + H2O(sln) = n-octanoic add(sln) + n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)\n", + "Old: n-octanoic acid glycerol diester(sln) + H 20(sln) = n-octanoic add(sln) +n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)\n", + "---\n", + "New: n-octanoic acid glycerol monoester(sln) + H2O(sln) = n-octanoic acid(sln) + glycerol(sln)\n", + "Old: n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) +glycerol(sln)\n", + "---\n", + "New: γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)\n", + "Old: Y-glutamohydroxamic acid(aq) + H20(I) = L-glutamate(aq) + hydroxylamine(aq) \n", + "---\n", + "New: ampicillin(aq) + H2O(l) = ampicillinoic acid(aq)\n", + "Old: ampicillin + H2o = ampicillinoic acid\n", + "---\n", + "New: phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)\n", + "Old: phenoxymethylpenicillin\n", + "---\n", + "New: 6-thioglucose 6-phosphate(aq) = 6-thioglucose I-phosphate(aq)\n", + "Old: 6-thioglucose 6-phosphate(aq) =6-thioglucose I-phosphate(aq)\n", + "---\n", + "New: (S)-dihydroorotate(aq) + oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)\n", + "Old: (S)-dihydroorotate(aq)+ oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)\n", + "---\n", + "New: D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)\n", + "Old: D-glyceraldehyde 3-phosphate~aq!1indole~aq!51-~indol-3- yl!glycerol 3-phosphate~aq!\n", + "---\n", + "New: 2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-benzyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-butanone(sln) + 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)\n", + "Old: 2-butanone(sln)+ 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclobutanone(sln) + 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)\n", + "Old: cyclobutanone(sln)+ 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)\n", + "---\n", + "New: cycloheptanone(sln) + 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)\n", + "Old: cycloheptanone(sln)+ 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclohexanone(sln) + 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)\n", + "Old: cyclohexanone(sln)+ 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclooctanone(sln) + 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)\n", + "Old: cyclooctanone(sln)+ 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)\n", + "---\n", + "New: cyclopentanone(sln) + 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)\n", + "Old: cyclopentanone(sln)+ 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-heptanone(sln) + 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)\n", + "Old: 2-heptanone(sln)+ 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-hexanone(sln) + 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)\n", + "Old: 2-hexanone(sln)+ 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-methyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-octanone(sln) + 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)\n", + "Old: 2-octanone(sln)+ 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-pentanone(sln) + 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)\n", + "Old: 2-pentanone(sln)+ 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "Old: 2-phenyl-1-cyclohexanone(sln)+ 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-ethanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-ethanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-heptanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-heptanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-hexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-hexanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-pentanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-pentanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)\n", + "---\n", + "New: 1-phenyl-1-propanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)\n", + "Old: 1-phenyl-1-propanone(sln)+ 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)\n", + "---\n", + "New: L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3,3-dimethyl-2-oxobutanoate(aq) + L-glutamate(aq)\n", + "Old: L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3, 3-dimethyl-2-oxobutanoate(aq) +L-glutamatea\n", + "---\n", + "New: ATP(aq) + serpeptide(aq) = ADP(aq) + phosphorylated serpeptide(aq)\n", + "Old: ATP(aq) + serpeptide(aq) =ADP(aq) + phosphorylated serpeptide(aq) \n", + "---\n", + "New: ATP(aq) + syntide 2(aq) = ADP(aq) + phosphosyntide(aq)\n", + "Old: ATP(aq) + syntide 2(aq) =ADP(aq) + phosphosyntide(aq) \n", + "---\n", + "New: 3-hydroxyanthranilic acid(aq) + ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxyanthranilic acid(aq) +ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-hydroxybenzoic acid(aq) + ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxybenzoic acid(aq) +ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 4-hydroxybenzoic acid(aq) + ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 4-hydroxybenzoic acid(aq) +ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-hydroxy-4-methylbenzoic acid(aq) + ATP(aq) = 3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-hydroxy-4-methylbenzoic acid(aq) _x0005_ATP(aq) =3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 3-methylbenzoic acid(aq) + ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 3-methylbenzoic acid(aq) +ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: 4-methylbenzoic acid(aq) + ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)\n", + "Old: 4-methylbenzoic acid(aq) +ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq) \n", + "---\n", + "New: deoxynucleoside triphosphate(aq) + polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq)\n", + "Old: deoxynucleoside triphosphate(aq) _x0005_polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq) \n", + "---\n", + "New: benzyl alcohol(sln) + butyl acetate(sln) = benzyl acetate(sln) + 1-butanol(sln)\n", + "Old: benzyl alcohol(sln)+ butyl acetate(sln) = benzyl acetate(sln)+ 1-butanol(sln)\n", + "---\n", + "New: butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)\n", + "Old: butyl decanoate(sln)+H2O(sln)= 1-butanol(sln) + 1-decanoic acid(sln)\n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,2-dioctanoyl glycerol(sln) + H2O(sln) = 2-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2-dioctanoyl glycerol(sln) +H2O(sln) = 2-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,3-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,3-dioctanoyl glycerol(sln) +2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: 1,3-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,3-dioctanoyl glycerol(sln) +H2O(sln) = 1-mono-octanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: dodecyl dodecanoate(sln) + H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln)\n", + "Old: dodecyl dodecanoate(sln) +H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln) \n", + "---\n", + "New: D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) + H2O(sln)\n", + "Old: D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) +H2O(sln) \n", + "---\n", + "New: (-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) + H2O(sln)\n", + "Old: (-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) +H2O(sln) \n", + "---\n", + "New: 1-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 2-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 2-mono-octanoyl glycerol(sln) +H2O(sln) = glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) + H2O(sln)\n", + "Old: oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) +H2O(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: (R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln)\n", + "Old: (R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1,2-dioctanoyl glycerol(sln) + n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1,2-dioctanoyl glycerol(sln) +n-octanoic acid(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln) \n", + "---\n", + "New: 1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln)\n", + "Old: 1,2,3-trioctanoyl glycerol(sln) +H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln) \n", + "---\n", + "New: cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = cis-2-hydroxycyclopentanemethanol-phosphate(aq)\n", + "Old: cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =cis-2-hydroxycyclopentanemethanol-phosphate(aq) \n", + "---\n", + "New: trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = trans-2-hydroxycyclopentanemethanol-phosphate(aq)\n", + "Old: trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) +H2O(l) =trans-2-hydroxycyclopentanemethanol -phosphate(aq) \n", + "---\n", + "New: 1R,2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) + H2O(l) = 1R,2S-trans-2-hydroxytetrahydrofuranmethanol-phosphate(aq)\n", + "Old: 1R, 2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) +H2O(l) =1R, 2S-trans-2-hydroxytetrahydrofuranmethanol -phosphate(aq) \n", + "---\n", + "New: 5-methoxytrimethylene phosphate(aq) + H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq)\n", + "Old: 5-methoxytrimethylene phosphate(aq) +H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq) \n", + "---\n", + "New: 5-methyltrimethylene phosphate(aq) + H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq)\n", + "Old: 5-methyltrimethylene phosphate(aq) +H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq) \n", + "---\n", + "New: adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\n", + "Old: adenosine 3':5'-(cyclic)phosphate(aq) +H2O(l) =AMP(aq) \n", + "---\n", + "New: 4-nitrophenyl acetate(aq) + H2O(l) = 4-nitrophenol(aq) + acetate(aq)\n", + "Old: 4-nitrophenyl acetate(aq) +H2O(l) = 4-nitrophenol(aq) +acetate(aq) \n", + "---\n", + "New: succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Leu(aq) + 4-nitrophenyl analide(aq)\n", + "Old: succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Leu(aq) +4-nitrophenyl analide(aq) \n", + "---\n", + "New: succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Phe(aq) + 4-nitrophenylanalide(aq)\n", + "Old: succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) +H2O(l) = succinylAla-Ala-Pro-Phe(aq) +4-nitrophenylanalide(aq) \n", + "---\n", + "New: cefamandole(aq) + H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) + D-mandelic acid(aq)\n", + "Old: cefamandole(aq) +H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) +D-mandelic acid(aq) \n", + "---\n", + "New: 2-acetamidohept-6-enoic acid(aq) + H2O(l) = acetate(aq) + 2-aminohept-6-enoic acid(aq)\n", + "Old: 2-acetamidohept-6-enoic acid(aq) +H2O(l) =acetate(aq) + 2-aminohept-6-enoic acid(aq) \n", + "---\n", + "New: N-acetyl-L-alanine(aq) + H2O(l) = acetate(aq) + L-alanine(aq)\n", + "Old: N-acetyl-L-alanine(aq) +H2O(l) =acetate(aq) +L-alanine(aq) \n", + "---\n", + "New: N-acetyl-L-cysteine(aq) + H2O(l) = acetate(aq) + L-cysteine(aq)\n", + "Old: N-acetyl-L-cysteine(aq) +H2O(l) =acetate(aq) +L-cysteine(aq) \n", + "---\n", + "New: N-acetyl-L-norleucine(aq) + H2O(l) = acetate(aq) + L-norleucine(aq)\n", + "Old: N-acetyl-L-norleucine(aq) +H2O(l) =acetate(aq) +L-norleucine(aq) \n", + "---\n", + "New: N-acetyl-L-valine(aq) + H2O(l) = acetate(aq) + L-valine(aq)\n", + "Old: N-acetyl-L-valine(aq) +H2O(l) =acetate(aq) +L-valine(aq) \n", + "---\n" + ] + } + ], + "source": [ + "newrxn = []\n", + "for r, t in rxn:\n", + " l = t\n", + " if pandas.isna(t) and pandas.isna(r): # for some reason there are (nan, nan) lines\n", + " continue\n", + " if pandas.isna(t):\n", + " newrxn.append((r, l))\n", + " continue\n", + " if not pandas.isna(r): # don't touch the data which is already in Elad's file\n", + " if \"H2O(1)\" not in t: # except for that one line with H2O(1) because it's bothering me\n", + " newrxn.append((r, l))\n", + " continue\n", + " # here, only those with a data that is not in elad's data\n", + " if t.strip() in known_errors:\n", + " l = known_errors[t.strip()] \n", + " # search displayed below\n", + " r2 = re.search(r' \\+(?<=\\+)[^{}\\s|]', t)\n", + " if r2 is None:\n", + " r2 = re.search(r' \\=(?<=\\=)[^{}\\s|]', t)\n", + " if r2 is None:\n", + " r2 = re.search(r'[^\\s](?=\\+)\\+', t)\n", + " if r2 is None:\n", + " r2 = re.search(r'[^\\s](?=\\=)\\=', t)\n", + " if r2 is not None:\n", + " if r2 != t:\n", + " l = l.replace(' _x0005_', '@+').strip()\n", + " for k, v in dict_errors.items():\n", + " l = l.replace(k, v)\n", + " l = re.sub(r'\\s+\\+\\s+', '@+', l)\n", + " l = re.sub(r'\\s+\\=\\s+', '@=', l)\n", + " l = re.sub(r'\\s+\\+', '@+', l)\n", + " l = re.sub(r'\\s+\\=', '@=', l)\n", + " l = re.sub(r'\\+\\s+', '@+', l)\n", + " l = re.sub(r'\\=\\s+', '@=', l)\n", + " l = l.replace('@+', ' + ')\n", + " l = l.replace('@=', ' = ')\n", + " if l != t:\n", + " print('New:', l)\n", + " print('Old:', t)\n", + " print('---')\n", + " newrxn.append((r, l))" + ] + }, + { + "cell_type": "code", + "execution_count": 96, + "id": "cb84f818", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[('kegg:C00556 + kegg:C00003 = kegg:C00261 + kegg:C00004',\n", + " 'benzyl alcohol(aq) + NAD(aq) = benzaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C06142 + kegg:C00003 = kegg:C01412 + kegg:C00004',\n", + " '1-butanol(aq) + NAD(aq) = butanal(aq) + NADH(aq)'),\n", + " ('kegg:C00854 + kegg:C00003 = kegg:C00414 + kegg:C00004',\n", + " 'cyclohexanol(aq) + NAD(aq) = cyclohexanone(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + kegg:C00003 = kegg:C00084 + kegg:C00004',\n", + " 'ethanol(aq) + NAD(aq) = acetaldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00469 + COCO:COCOM00012 = kegg:C00084 + COCO:COCOM00013',\n", + " 'ethanol(aq) + AP-NAD(aq) = acetaldehyde(aq) + AP-NADH(aq)'),\n", + " (nan,\n", + " 'ethanol(aq) + desamino NAD(aq) = acetaldehyde(aq) + desamino NADH(aq)'),\n", + " (nan, '1-hexanol + NAD = hexanal + NADH'),\n", + " ('kegg:C08492 + kegg:C00003 = kegg:C16310 + kegg:C00004',\n", + " 'cis-3-hexene-1-ol(aq) + NAD(aq) = cis-3-hexenal(aq) + NADH(aq)'),\n", + " (nan, 'trans-2-hexen-1-ol + NAD = trans-2-hexenal + NADH'),\n", + " (nan, '1-nonanol + NAD = nonanal + NADH'),\n", + " ('kegg:C00756 + kegg:C00003 = kegg:C01545 + kegg:C00004',\n", + " '1-octanol(aq) + NAD(aq) = octanal(aq) + NADH(aq)'),\n", + " ('kegg:C05979 + kegg:C00003 = kegg:C00479 + kegg:C00004',\n", + " '1-propanol(aq) + NAD(aq) = propanal(aq) + NADH(aq)'),\n", + " ('kegg:C01845 + kegg:C00003 = kegg:C00207 + kegg:C00004',\n", + " '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " (nan, '2-propanol(aq) + NAD(aq) = acetone(aq) + NADH(aq)'),\n", + " ('kegg:C00473 + kegg:C00003 = kegg:C00376 + kegg:C00004',\n", + " 'vitamin A alcohol(aq) + NAD(aq) = vitamin A aldehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00003 = kegg:C00441 + kegg:C00004',\n", + " 'L-homoserine(aq) + NAD(aq) = L-aspartate 4-semialdehyde(aq) + NADH(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(aq) = L-aspartate 4-semialdehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C03044 + kegg:C00003 = kegg:C00810 + kegg:C00004',\n", + " '(R,R)-2,3-butanediol(aq) + NAD(aq) = (R)-acetoin(aq) + NADH(aq)'),\n", + " ('kegg:C00116 + kegg:C00003 = kegg:C00184 + kegg:C00004',\n", + " 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " (nan, 'glycerol(aq) + NAD(aq) = dihydroxyacetone(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate(aq) + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00093 + kegg:C00003 = kegg:C00111 + kegg:C00004',\n", + " 'sn-glycerol 3-phosphate + NAD(aq) = dihydroxyacetone phosphate(aq) + NADH(aq)'),\n", + " (nan, 'allitol(aq) + NAD(aq) = D-psicose(aq) + NADH(aq) '),\n", + " (nan,\n", + " 'D-glycero-D-glucoheptitol(aq) + NAD(aq) = D-sedoheptulose(aq) + NADH(aq)'),\n", + " ('kegg:C01507 + kegg:C00003 = kegg:C00247 + kegg:C00004',\n", + " 'L-iditol(aq) + NAD(aq) = L-sorbose(aq) + NADH(aq)'),\n", + " ('kegg:C00474 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'ribitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00794 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-sorbitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " (nan, 'L-threitol(aq) + NAD(aq) = L-erythrulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00003 = kegg:C00310 + kegg:C00004',\n", + " 'xylitol(aq) + NAD(aq) = D-xylulose(aq) + NADH(aq)'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00312 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = L-xylulose(aq) + NADPH(aq)'),\n", + " ('kegg:C01697 + kegg:C00003 = kegg:C00795 + kegg:C00004',\n", + " 'galactitol(aq) + NAD(aq) = D-tagatose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00003 = kegg:C00095 + kegg:C00004',\n", + " 'D-mannitol(aq) + NAD(aq) = D-fructose(aq) + NADH(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol 1-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " (nan, 'myo-inositol + NAD = 2-oxo-myo-inositol + NADH'),\n", + " ('kegg:C00379 + kegg:C00006 = kegg:C00181 + kegg:C00005',\n", + " 'xylitol(aq) + NADP(aq) = D-xylose(aq) + NADPH(aq)'),\n", + " ('kegg:C00296 + kegg:C00003 = kegg:C00944 + kegg:C00004',\n", + " 'quinate(aq) + NAD(aq) = 5-dehydroquinate(aq) + NADH(aq)'),\n", + " ('kegg:C00493 + kegg:C00006 = kegg:C02637 + kegg:C00005',\n", + " 'shikimate(aq) + NADP(aq) = 3-dehydroshikimate(aq) + NADPH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C00168 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = hydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00160 + kegg:C00003 = kegg:C00048 + kegg:C00004',\n", + " 'glycolate(aq) + NAD(aq) = glyoxylate(aq) + NADH(aq)'),\n", + " (nan, 'glycolate + NAD = ...'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " '2-hydroxybutanoate(aq) + NAD(aq) = 2-oxobutanoate(aq) + NADH(aq)'),\n", + " (nan, '2,4-dihydroxybutanoate(aq) + NAD(aq) = ...'),\n", + " ('kegg:C00186 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(S)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00186 + COCO:COCOM00012 = kegg:C00022 + COCO:COCOM00013',\n", + " '(S)-lactate(aq) + AP-NAD(aq)= pyruvate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(aq) = pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C01089 + kegg:C00003 = kegg:C00164 + kegg:C00004',\n", + " '(R)-3-hydroxybutanoate(aq) + NAD(aq) = 3-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01188 + kegg:C00003 = kegg:C00349 + kegg:C00004',\n", + " '3-hydroxy-2-methylpropanoate(aq) + NAD(aq) = 2-methyl-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C01144 + kegg:C00003 = kegg:C00332 + kegg:C00004',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq) + NAD(aq) = 3-oxobutanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C05268 + kegg:C00003 = kegg:C05269 + kegg:C00004',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq) + NAD(aq) = 3-oxohexanoyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(aq) = oxaloacetate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C00975 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = (E)-dihydroxyfumarate(aq) + NADH(aq)'),\n", + " ('kegg:C00552 + kegg:C00003 = kegg:C03459 + kegg:C00004',\n", + " 'meso-tartrate(aq) + NAD(aq) = 2-oxo-3-hydroxysuccinate(aq) + NADH(aq)'),\n", + " ('kegg:C00025 + kegg:C00149 + kegg:C00003 = kegg:C00049 + kegg:C00026 + kegg:C00004',\n", + " 'L-glutamate(aq) + (S)-malate(aq) + NAD(aq) = L-aspartate(aq) + 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00024 + kegg:C00003 + kegg:C00001 = kegg:C00158 + kegg:C00010 + kegg:C00004',\n", + " '(S)-malate(aq) + acetyl-CoA(aq) + NAD(aq) + H2O(l) = citrate(aq) + CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00288',\n", + " '(S)-malate(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00149 + kegg:C00006 + kegg:C00001 = kegg:C00022 + kegg:C00005 + kegg:C00288',\n", + " '(S)-malate(aq) + NADP(aq) + H2O(l) = pyruvate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00311 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00288',\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " 'isocitrate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00345 + kegg:C00006 + kegg:C00001 = kegg:C00199 + kegg:C00005 + kegg:C00288',\n", + " '6-phospho-D-gluconate(aq) + NADP(aq) + H2O(l) = D-ribulose 5-phosphate(aq) + NADPH(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00031 + kegg:C00003 = kegg:C00198 + kegg:C00004',\n", + " '-D-glucose(aq) + NAD(aq) = D-glucono-1,5-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00124 + kegg:C00003 = kegg:C03383 + kegg:C00004',\n", + " 'D-galactose(aq) + NAD(aq) = D-galactono-1,4-lactone(aq) + NADH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 = kegg:C01236 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) = D-glucono-1,5-lactone 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00092 + kegg:C00006 + kegg:C00001 = kegg:C00345 + kegg:C00005',\n", + " 'D-glucose 6-phosphate(aq) + NADP(aq) + H2O(l) = 6-phospho-D-gluconate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + NAD(aq) = 5α-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α,17β-diol(aq) + NAD(aq) = 5α-androstane-17β-ol-3-one(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-androstane-3α-ol-17-one(aq) + TNAD(aq) = 5α-androstane-3,17-dione(aq) + TNADH(aq)'),\n", + " (nan,\n", + " '5β-androstane-3α-ol-17-one(aq) + NAD(aq) = 5β-androstane-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,20-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5β-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5alpha-androstane-3beta,17alpha-diol(aq) + NAD(aq) = 5alpha-androstane-17alpha-ol-3-one(aq) + NADH(aq)'),\n", + " ('kegg:C00535 + kegg:C00003 = kegg:C00280 + kegg:C00004',\n", + " '4-androstene-17-ol-3-one(aq) + NAD(aq) = 4-androstene-3,17-dione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq) + NAD(aq) = 5α-pregnane-17α,21-diol-3,11,20-trione(aq) + NADH(aq)'),\n", + " ('kegg:C00583 + kegg:C00006 = kegg:C00424 + kegg:C00005',\n", + " '1,2-propanediol(aq) + NADP(aq) = L-lactaldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01013 + kegg:C00003 = kegg:C00222 + kegg:C00004',\n", + " '3-hydroxypropanoate(aq) + NAD(aq) = 3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00258 + kegg:C00003 = kegg:C01146 + kegg:C00004',\n", + " '(R)-glycerate(aq) + NAD(aq) = 2-hydroxy-3-oxopropanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00989 + kegg:C00003 = kegg:C00232 + kegg:C00004',\n", + " '4-hydroxybutanoate(aq) + NAD(aq) = 4-oxobutanoate(aq) + NADH(aq)'),\n", + " ('kegg:C00951 + kegg:C00003 = kegg:C00468 + kegg:C00004',\n", + " 'estradiol-17(aq) + NAD(aq) = estrone(aq) + NADH(aq)'),\n", + " (nan, 'D-gluconate(aq) + NADP(aq) = 5-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00116 + kegg:C00006 = kegg:C00577 + kegg:C00005',\n", + " 'glycerol(aq) + NADP(aq) = (R)-glyceraldehyde(aq) + NADPH(aq)'),\n", + " (nan, 'glycolate(aq) + NADP(aq) = glyoxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00197 + kegg:C00003 = kegg:C03232 + kegg:C00004',\n", + " '3-phospho-D-glycerate(aq) + NAD(aq) = 3-phosphohydroxypyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C04367 + kegg:C00003 = kegg:C01244 + kegg:C00004',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq) + NAD(aq) =-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C03351 + kegg:C00006 = kegg:C03067 + kegg:C00005',\n", + " '3-hydroxybenzyl alcohol(aq) + NADP(aq) = 3-hydroxybenzaldehyde(aq) + NADPH(aq)'),\n", + " (nan,\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) + NADP(aq) = 3-oxobutanoyl-[acyl-carrier protein](aq) + NADPH(aq)'),\n", + " ('kegg:C00318 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'L-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " ('kegg:C02043 + kegg:C00003 = kegg:C00331 + kegg:C00004',\n", + " 'indole-3-lactate(aq) + NAD(aq) = indole-3-pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00006 = kegg:C00198 + kegg:C00005',\n", + " 'D-glucose(aq) + NADP(aq) = D-glucono-1,5-lactone(aq) + NADPH(aq)'),\n", + " ('kegg:C00095 + kegg:C00006 = kegg:C00273 + kegg:C00005',\n", + " 'D-fructose(aq) + NADP(aq) = 5-dehydro-D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C02782 + kegg:C00003 = kegg:C03926 + kegg:C00004',\n", + " '2-deoxy-D-gluconate(aq) + NAD(aq) = 2-deoxy-3-dehydro-D-gluconate(aq) + NADH(aq)'),\n", + " ('kegg:C01620 + kegg:C00003 = kegg:C03064 + kegg:C00004',\n", + " 'L-threonate(aq) + NAD(aq) = 3-oxo-L-threonate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-sorbitol 6-phosphate(aq) + NAD(aq) = D-fructose 6-phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C04741 + kegg:C00003 = kegg:C04654 + kegg:C00004',\n", + " 'prostaglandin E1(aq) + NAD(aq) = 15-oxo-prostaglandin E1(aq) + NADH(aq)'),\n", + " (nan,\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq) + NAD(aq) = 4-pregnene-11β,17α-diol-3,20,21-trione( aq) + NADH(aq)'),\n", + " ('kegg:C02953 + kegg:C00006 = kegg:C00835 + kegg:C00005',\n", + " '7,8-dihydrobiopterin(aq) + NADP(aq) = sepiapterin(aq) + NADPH(aq)'),\n", + " ('kegg:C00590 + kegg:C00006 = kegg:C02666 + kegg:C00005',\n", + " 'coniferyl alcohol(aq) + NADP(aq) = coniferyl aldehyde(aq) + NADPH(aq)'),\n", + " ('kegg:C01087 + kegg:C00003 = kegg:C00026 + kegg:C00004',\n", + " '(R)-2-hydroxyglutarate(aq) + NAD(aq) = 2-oxoglutarate(aq) + NADH(aq)'),\n", + " ('kegg:C01096 + kegg:C00006 = kegg:C00092 + kegg:C00005',\n", + " 'D-sorbitol 6-phosphate(aq) + NADP(aq) = D-glucose 6-phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00257 + kegg:C00006 = kegg:C06473 + kegg:C00005',\n", + " 'D-gluconate(aq) + NADP(aq) = 2-oxo-D-gluconate(aq) + NADPH(aq)'),\n", + " ('kegg:C00186 + kegg:C00036 = kegg:C00149 + kegg:C00022',\n", + " '(S)-lactate(aq) + oxaloacetate(aq) = (S)-malate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00243 + 2 kegg:C00125 = kegg:C05403 + 2 kegg:C00126',\n", + " 'lactose(aq) + 2 cytochrome c(aq) = 3-oxolactose(aq) + 2 reduced cytochrome c(aq)'),\n", + " ('kegg:C00058 + kegg:C00003 + kegg:C00001 = kegg:C00288 + kegg:C00004',\n", + " 'formate(aq) + NAD(aq) + H2O(l) = carbon dioxide(aq) + NADH(aq)'),\n", + " ('kegg:C00084 + kegg:C00010 + kegg:C00003 = kegg:C00024 + kegg:C00004',\n", + " 'acetaldehyde(aq) + CoA(aq) + NAD(aq) = acetyl-CoA(aq) + NADH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate 4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " ('kegg:C00441 + kegg:C00006 + kegg:C00009 = kegg:C03082 + kegg:C00005',\n", + " 'L-aspartate-4-semialdehyde(aq) + NADP(aq) + orthophosphate(aq) = L-4-aspartyl phosphate(aq) + NADPH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (aminomethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-animomethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloroethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloroethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (chloromethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-chloromethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (ethyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-ethyl)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methoxy)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methoxy)phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + (methyl)phosphoate(aq) + NAD(aq) = (3-phospho-D-glyceroyl-methyl)phosphate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00009 + kegg:C00003 = kegg:C00236 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + orthophosphate(aq) + NAD(aq) = 3-phospho-D-glyceroyl phosphate(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + phosphonate(aq) + NAD(aq) = (3-phospho-D-glyceroyl)phosphonate(aq) + NADH(aq)'),\n", + " ('kegg:C00118 + kegg:C00008 + kegg:C00003 + kegg:C00009 = kegg:C00197 + kegg:C00002 + kegg:C00004',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + ADP(aq) + NAD(aq) + orthophosphate(aq) = 3-phospho-D-glycerate(aq) + ATP(aq) + NADH(aq)'),\n", + " ('kegg:C00048 + kegg:C00010 + kegg:C00006 = kegg:C00313 + kegg:C00005',\n", + " 'glyoxylate(aq) + CoA(aq) + NADP(aq) = oxalyl-CoA(aq) + NADPH(aq)'),\n", + " ('kegg:C00058 + kegg:C00006 + kegg:C00001 = kegg:C00288 + kegg:C00005',\n", + " 'formate(aq) + NADP(aq) + H2O(l) = carbon dioxide(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00042 + kegg:C00007 = 2 kegg:C00122 + 2 kegg:C00001',\n", + " '2 succinate(aq) + O2(aq) = 2 fumarate(aq) + 2 H2O(l)'),\n", + " ('kegg:C00337 + kegg:C00003 = kegg:C00295 + kegg:C00004',\n", + " '(S)-dihydroorotate(aq) + NAD(aq) = orotate(aq) + NADH(aq)'),\n", + " ('kegg:C00337 + COCO:COCOM00012 = kegg:C00295 + COCO:COCOM00013',\n", + " '(S)-dihydroorotate(aq) + AP-NAD(aq) = orotate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00041 + kegg:C00003 + kegg:C00001 = kegg:C00022 + kegg:C00004 + kegg:C00014',\n", + " 'L-alanine(aq) + NAD(aq) + H2O(l) = pyruvate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00003 + kegg:C00001 = kegg:C00026 + kegg:C00004 + kegg:C00014',\n", + " 'L-glutamate(aq) + NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + COCO:COCOM00012 + kegg:C00001 = kegg:C00026 + COCO:COCOM00013 + kegg:C00014',\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + AP-NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + AP-NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'L-glutamate(aq) + desamino NAD(aq) + H2O(l) = 2-oxoglutarate(aq) + desamino NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00025 + kegg:C00006 + kegg:C00001 = kegg:C00026 + kegg:C00005 + kegg:C00014',\n", + " 'L-glutamate(aq) + NADP(aq) + H2O(l) = 2-oxoglutarate(aq) + NADPH(aq) + ammonia(aq)'),\n", + " ('kegg:C00123 + kegg:C00003 + kegg:C00001 = kegg:C00233 + kegg:C00004 + kegg:C00014',\n", + " 'L-leucine(aq) + NAD(aq) + H2O(l) = 4-methyl-2-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'glycine(ag) + NAD(aq) + H2O(l) = glyoxylate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C01186 + kegg:C00003 + kegg:C00001 = kegg:C03656 + kegg:C00004 + kegg:C00014',\n", + " 'L-erythro-3,5-diaminohexanoate(aq) + NAD(aq) + H2O(l) = (S)-5-amino-3-oxohexanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C03943 + kegg:C00003 + kegg:C00001 = kegg:C03341 + kegg:C00004 + kegg:C00014',\n", + " '2,4-diaminopentanoate(aq) + NAD(aq) + H2O(l) = 2-amino-4-oxopentanoate(aq) + NADH(aq) + ammonia(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03564 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00148 + kegg:C00006 = kegg:C03912 + kegg:C00005',\n", + " '(S)-proline(aq) + NADP(aq) =D-1-pyrroline-5-carboxylate(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00415 = kegg:C00504 + kegg:C00101',\n", + " '2 7,8-dihydrofolate(aq) = folate(aq) + 5,6,7,8-tetrahydrofolate(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(aq) = 7,8-dihydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00445 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(aq) = 5,10-methenyltetrahydrofolate(aq) + NADPH(aq)'),\n", + " ('kegg:C04137 + kegg:C00003 + kegg:C00001 = kegg:C00062 + kegg:C00022 + kegg:C00004',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq) + NAD(aq) + H2O(l) = L-arginine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00143 + COCO:COCOM00012 = kegg:C00445 + COCO:COCOM00013',\n", + " '5,10-methylenetetrahydrofolate(aq) + AP-NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + AP-NADH(aq)'),\n", + " ('kegg:C00143 + kegg:C00003 = kegg:C00445 + kegg:C00004',\n", + " '5,10-methylenetetrahydrofolate(aq) + NAD(aq) = 5,10-methenyltetrahydrofolate(aq) + NADH(aq)'),\n", + " ('kegg:C03210 + kegg:C00003 + kegg:C00001 = kegg:C00041 + kegg:C00022 + kegg:C00004',\n", + " \"2,2'-iminodipropanoate(aq) + NAD(aq) + H2O(l) = L-alanine(aq) + pyruvate(aq) + NADH(aq)\"),\n", + " (nan,\n", + " '2-methyliminodiacetatc(aq) + NAD(aq) + H20(l) = glycine(aq) + pyruvate(aq) + NADH(aq)'),\n", + " ('kegg:C00408 + kegg:C00006 = kegg:C04092 + kegg:C00005',\n", + " 'L-pipecolate(aq) + NADP(aq) =D-1-piperidine-2-carboxylate(aq) + NADPH(aq)'),\n", + " ('kegg:C00003 + kegg:C00005 = kegg:C00004 + kegg:C00006',\n", + " 'NAD(aq) + NADPH(aq) = NADH(aq) + NADP(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00342 + kegg:C00006 = kegg:C00343 + kegg:C00005',\n", + " 'reduced thioredoxin(aq) + NADP(aq) = oxidized thioredoxin(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00004 + kegg:C00007 = 2 kegg:C00003 + 2 kegg:C00001',\n", + " '2 NADH(aq) + O2(aq) = 2 NAD(aq) + 2 H2O(l)'),\n", + " ('kegg:C00440 + kegg:C00016 = kegg:C00143 + kegg:C01352',\n", + " '5-methyltetrahydrofolate(aq) + flavin-adenine dinucleotide(aq) = 5,10-methylenetetrahydrofolate(aq) + reduced flavin-adenine dinucleotide(aq)'),\n", + " ('kegg:C00579 + kegg:C00003 = kegg:C00248 + kegg:C00004',\n", + " 'dihydrolipoamide(aq) + NAD(aq) = lipoamide(aq) + NADH(aq)'),\n", + " ('kegg:C02147 + kegg:C00003 = kegg:C00725 + kegg:C00004',\n", + " 'dihydro--lipoate(aq) + NAD(aq) =-lipoate(aq) + NADH(aq)'),\n", + " ('kegg:C00010 + kegg:C00127 = kegg:C00920 + kegg:C00051',\n", + " 'CoA(aq) + oxidized glutathione(aq) = CoA-glutathione(aq) + reduced glutathione(aq)'),\n", + " (nan, '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('4 kegg:C00126 + kegg:C00007 = 4 kegg:C00125 + 2 kegg:C00001',\n", + " '4 reduced cytochrome c(aq) + O2(aq) = 4 cytochrome c(aq) + 2 H2O(l)'),\n", + " ('kegg:C00282 + kegg:C00003 = kegg:C00004', 'H2(aq) + NAD(aq) = NADH(aq)'),\n", + " ('kegg:C00719 + kegg:C00155 = kegg:C01026 + kegg:C00073',\n", + " 'betaine(aq) + L-homocysteine(aq) = N,N-dimethylglycine(aq) + L-methionine(aq)'),\n", + " ('kegg:C03392 + kegg:C00155 = kegg:C03173 + kegg:C00073',\n", + " 'dimethylacetothetin(aq) + L-homocysteine(aq) = S-methylthioglycolate(aq) + L-methionine(aq)'),\n", + " (nan,\n", + " 'dimethylpropiothetin(aq) + L-homocysteine(aq) = S-methyltpropiothetin(aq) + L-methionine(aq)'),\n", + " (nan, 'S-methylmethionine(aq) + L-homocysteine(aq) = 2 L-methionine(aq)'),\n", + " ('kegg:C01008 + kegg:C00155 = kegg:C00580 + kegg:C00073',\n", + " 'trimethylsulfonium(aq) + L-homocysteine(aq) = dimethylsulfide(aq) + L-methionine(aq)'),\n", + " ('kegg:C00019 + kegg:C00155 = kegg:C00021 + kegg:C00073',\n", + " 'S-adenosyl-L-methionine(aq) + L-homocysteine(aq) = S-adenosyl-L-homocysteine(aq) + L-methionine(aq)'),\n", + " ('kegg:C00143 + kegg:C00365 = kegg:C00415 + kegg:C00364',\n", + " '5,10-methylenetetrahydrofolate(aq) + dUMP(aq) = dihydrofolate(aq) + dTMP(aq)'),\n", + " ('kegg:C00037 + kegg:C00084 = kegg:C00188',\n", + " 'glycine(aq) + acetaldehyde(aq) = L-threonine(aq)'),\n", + " ('kegg:C00037 + kegg:C00067 = kegg:C00065',\n", + " 'glycine(aq) + formaldehyde(aq) = L-serine(aq)'),\n", + " ('kegg:C00143 + kegg:C00037 + kegg:C00001 = kegg:C00101 + kegg:C00065',\n", + " '5,10-methylenetetrahydrofolate(aq) + glycine(aq) + H2O(l) = tetrahydrofolate(aq) + L-serine(aq)'),\n", + " ('kegg:C00664 + kegg:C00037 = kegg:C02718 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + glycine(aq) = N-formiminoglycine(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C00664 + kegg:C00025 = kegg:C00439 + kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq) + L-glutamate(aq) = N-formimino-L-glutamate(aq) + tetrahydrofolate(aq)'),\n", + " ('kegg:C03059 + kegg:C00101 = kegg:C00143 + kegg:C00740 + kegg:C00001',\n", + " '2-hydroxymethylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-serine(aq) + H2O(1)'),\n", + " ('kegg:C03059 = kegg:C00740 + kegg:C00067',\n", + " '2-hydroxymethylserine(aq) = D-serine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C02115 + kegg:C00101 = kegg:C00143 + kegg:C00133 + kegg:C00001',\n", + " '2-methylserine(aq) + tetrahydrofolate(aq) = 5,10-methylenetetrahydrofolate(aq) + D-alanine(aq) + H2O(l)'),\n", + " ('kegg:C02115 = kegg:C00133 + kegg:C00067',\n", + " '2-methylserine(aq) = D-alanine(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00036 + kegg:C00100 = kegg:C00022 + kegg:C02557',\n", + " 'oxaloacetate(aq) + propanoyl-CoA(aq) = pyruvate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00169 + kegg:C00077 = kegg:C00327 + kegg:C00009',\n", + " 'carbamoyl phosphate(aq) + L-ornithine(aq) = L-citrulline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00062 + kegg:C00037 = kegg:C00077 + kegg:C00581',\n", + " 'L-arginine(aq) + glycine(aq) = L-ornithine(aq) + guanidinoacetate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00118 = kegg:C00279 + kegg:C00231',\n", + " 'D-fructose 6-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phospahte(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00266 = kegg:C02045 + kegg:C00279',\n", + " 'D-fructose 6-phosphate(aq) + glycolaldehyde(aq) = L-erythrulose(aq) + D-erythrose 4-phosphate(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00117 + kegg:C00231',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-ribose 5-phosphate(aq) + D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00095 + kegg:C00118 = kegg:C00085 + kegg:C00577',\n", + " 'D-fructose(aq) + D-glyceraldehyde-3-phosphate(aq) = D-fructose 6-phosphate(aq) + D-glyceraldehyde(aq)'),\n", + " ('kegg:C05382 + kegg:C00118 = kegg:C00279 + kegg:C00085',\n", + " 'sedoheptulose 7-phosphate(aq) + D-glyceraldehyde 3-phosphate(aq) = D-erythrose 4-phosphate(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C01589 = kegg:C02560 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + aniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-acetylacetanalide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-aminoacetophenone(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-chloroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-cyanoaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-acetamidobenzoate(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + ethyl 4-aminobenzoate(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methoxyaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-methylacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + p-toluidine(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroacetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + 4'-nitroaniline(aq)\"),\n", + " (nan,\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-acetanilide(aq) = N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq) + α,α,α-trifluoro-m-toluidine(aq)\"),\n", + " ('kegg:C00024 + kegg:C00114 = kegg:C00010 + kegg:C01996',\n", + " 'acetyl-CoA(aq) + choline(aq) = CoA(aq) + O-acetylcholine(aq)'),\n", + " ('kegg:C00024 + kegg:C00318 = kegg:C00010 + kegg:C02571',\n", + " 'acetyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-acetylcarnitine(aq)'),\n", + " (nan, 'butyryl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-butyrylcarnitine(aq)'),\n", + " ('kegg:C00100 + kegg:C00318 = kegg:C00010 + kegg:C03017',\n", + " 'propionyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-propionylcarnitine(aq)'),\n", + " ('kegg:C00024 + kegg:C00009 = kegg:C00010 + kegg:C00227',\n", + " 'acetyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'acetyl phosphate(aq) + imidazole(aq) = N-acetylimidazole(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00798 + kegg:C00009 = kegg:C00010 + kegg:C02405',\n", + " 'formyl-CoA(aq) + orthophosphate(aq) = CoA(aq) + formyl phosphate(aq)'),\n", + " ('kegg:C00022 + kegg:C00009 = kegg:C00227 + kegg:C00058',\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00010 + kegg:C00033 + kegg:C00002 = kegg:C00024 + kegg:C00008 + kegg:C00009',\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP(aq) + orthophospate(aq)'),\n", + " ('2 kegg:C00024 = kegg:C00010 + kegg:C00332',\n", + " '2 acetyl-CoA(aq) = CoA(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00154 + kegg:C00318 = kegg:C00010 + kegg:C02990',\n", + " 'palmitoyl-CoA(aq) + L-carnitine(aq) = CoA(aq) + L-palmitoylcarnitine(aq)'),\n", + " ('kegg:C00437 + kegg:C00025 = kegg:C00077 + kegg:C00624',\n", + " 'N-2-acetyl-L-ornithine(aq) + L-glutamate(aq) = L-ornithine(aq) + N-acetyl-L-glutamate(aq)'),\n", + " ('kegg:C00024 + kegg:C00229 = kegg:C00010 + kegg:C03939',\n", + " 'acetyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + acetyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00083 + kegg:C00229 = kegg:C00010 + kegg:C01209',\n", + " 'malonyl-CoA(aq) + acyl-carrier protein(aq) = CoA(aq) + malonyl-[acyl-carrier protein](aq)'),\n", + " ('kegg:C00024 + kegg:C00058 = kegg:C00010 + kegg:C00022',\n", + " 'acetyl-CoA(aq) + formate(aq) = CoA(aq) + pyruvate(aq)'),\n", + " (nan,\n", + " 'pyruvate(aq) + orthophosphate(aq) = acetyl phosphate(aq) + formate(aq)'),\n", + " ('kegg:C00089 + kegg:C00009 = kegg:C00103 + kegg:C00095',\n", + " 'sucrose(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-fructose(aq)'),\n", + " ('kegg:C00208 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'maltose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'sucrose(aq) + (2,6-beta-D-fructosyl)n(aq) = D-glucose(aq) + (2,6-beta-D-fructosyl)n+1(aq)'),\n", + " ('kegg:C00498 + kegg:C00095 = kegg:C00008 + kegg:C00089',\n", + " 'ADPglucose(aq) + D-fructose(aq) = ADP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00095 = kegg:C00015 + kegg:C00089',\n", + " 'UDPglucose(aq) + D-fructose(aq) = UDP(aq) + sucrose(aq)'),\n", + " ('kegg:C00029 + kegg:C00085 = kegg:C00015 + kegg:C16688',\n", + " 'UDPglucose(aq) + D-fructose 6-phosphate(aq) = UDP(aq) + sucrose 6-phosphate(aq)'),\n", + " ('kegg:C00029 + kegg:C00092 = kegg:C00015 + kegg:C00689',\n", + " \"UDP-glucose + D-glucose 6-phosphate = UDP + alpha,alpha'-trehalose 6-phosphate\"),\n", + " (nan, 'cycloheptaamylose(aq) + 7 H2O(l) = 7 D-glucose(aq)'),\n", + " (nan, 'cyclohexaamylose(aq) + 6 H2O(l) = 6 D-glucose(aq)'),\n", + " (nan, 'cyclooctaamylose(aq) + 8 H2O(l) = 8 D-glucose(aq)'),\n", + " ('kegg:C00185 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'cellobiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C06219 + kegg:C00009 = kegg:C00185 + kegg:C00103',\n", + " 'cellotriose(aq) + orthophosphate(aq) = cellobiose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C02048 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " 'laminaribiose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritetraose(aq) + orthophosphate(aq) = laminaritriose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'laminaritriose(aq) + orthophosphate(aq) = laminaribiose(aq) + alpha-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01083 + kegg:C00009 = kegg:C00031 + kegg:C00103',\n", + " ',-trehalose(aq) + orthophosphate(aq) = D-glucose(aq) + D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C01235 + kegg:C00492 = kegg:C00137 + kegg:C01613',\n", + " '1--D-galactosyl-myo-inositol(aq) + raffinose(aq) = myo-inositol(aq) + stachyose(aq)'),\n", + " ('kegg:C00029 + kegg:C00482 = kegg:C00015 + kegg:C01175',\n", + " 'UDPglucose(aq) + sinapate(aq) = UDP(aq) + 1-sinapoyl-D-glucose(aq)'),\n", + " ('kegg:C00212 + kegg:C00009 = kegg:C00147 + kegg:C00620',\n", + " 'adenosine(aq) + orthophosphate(aq) = adenine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2'-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00387 + kegg:C00009 = kegg:C00242 + kegg:C00620',\n", + " 'guanosine(aq) + orthophosphate(aq) = guanine(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00294 + kegg:C00009 = kegg:C00262 + kegg:C00620',\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan,\n", + " 'inosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + alpha-D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00153 + kegg:C00620 = kegg:C03150 + kegg:C00009',\n", + " 'nicotinamide(aq) + D-ribose 1-phosphate(aq) = nicotinamide riboside(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01762 + kegg:C00009 = kegg:C00385 + kegg:C00620',\n", + " 'xanthosine(aq) + orthophosphate(aq) = xanthine(aq) + D-ribose 1-phosphate(aq)'),\n", + " (nan, 'inosine(aq) + thymine(aq) = 5-methyluridine(aq) + hypoxanthine(aq)'),\n", + " (nan,\n", + " '5-methyluridine(aq) + orthophosphate(aq) = thymine(aq) + alpha-D-ribose-1-phosphate'),\n", + " ('kegg:C00299 + kegg:C00009 = kegg:C00106 + kegg:C00620',\n", + " 'uridine(aq) + orthophosphate(aq) = uracil(aq) + D-ribose 1-phosphate(aq)'),\n", + " ('kegg:C00214 + kegg:C00147 = kegg:C00559 + kegg:C00178',\n", + " \"thymidine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + thymine(aq)\"),\n", + " ('kegg:C05512 + kegg:C00147 = kegg:C00559 + kegg:C00262',\n", + " \"2'-deoxyinosine(aq) + adenine(aq) = 2'-deoxyadenosine(aq) + hypoxanthine(aq)\"),\n", + " ('kegg:C00147 + kegg:C00119 = kegg:C00020 + kegg:C00013',\n", + " 'adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = AMP(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " \"5-amino-4-imidazolecarboxamide(aq) + 5-phospho-alpha-D-ribose 1-dipihosphate(aq) = 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00144 + kegg:C00262 = kegg:C00130 + kegg:C00242',\n", + " 'GMP(aq) + hypoxanthine(aq) = IMP(aq) + guanine(aq)'),\n", + " ('kegg:C00242 + kegg:C00119 = kegg:C00144 + kegg:C00013',\n", + " 'guanine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = GMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00262 + kegg:C00119 = kegg:C00130 + kegg:C00013',\n", + " 'hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5'-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " (nan,\n", + " \"orotidine 5'-phosphate(aq) + thiopyrophosphate(aq) = orotate(aq) + phosphoribosyl-1-O-(2-thiodiphosphate)(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + aniline(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteroanilithiamine(aq)\"),\n", + " (nan,\n", + " \"thiamine(aq) + nicotinamide(aq) = 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq) + heteronicotinathiamine(aq)\"),\n", + " ('kegg:C04752 + kegg:C04327 = kegg:C00013 + kegg:C01081',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq) + 4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq) = pyrophosphate(aq) + thiamine monophosphate(aq)'),\n", + " ('kegg:C00049 + kegg:C00026 = kegg:C00036 + kegg:C00025',\n", + " 'L-aspartate(aq) + 2-oxoglutarate(aq) = oxaloacetate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C19838 + kegg:C00026 = kegg:C03459 + kegg:C00025',\n", + " 'erythro-3-hydroxyaspartate(aq) + 2-oxoglutarate(aq) = 2-oxo-3-hydroxybutanedioic acid(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00026 = kegg:C00022 + kegg:C00025',\n", + " 'L-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01100 + kegg:C00026 = kegg:C01267 + kegg:C00025',\n", + " 'L-histidinol phosphate(aq) + 2-oxoglutarate(aq) = 3-(imidazol-4-yl)-2-oxopropyl phosphate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00077 + kegg:C00026 = kegg:C03912 + kegg:C00025',\n", + " 'L-ornithine(aq) + 2-oxoglutarate(aq) = DL-D-1-pyrroline-5-carboxylate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00064 + kegg:C00048 = kegg:C00940 + kegg:C00037',\n", + " 'L-glutamine(aq) + glyoxylate(aq) = 2-oxoglutaramate(aq) + glycine(aq)'),\n", + " (nan,\n", + " 'L-glutamine(aq) + 2-oxo-4-methiolbutyrate(aq) = 2-oxoglutaramate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00064 + kegg:C00022 = kegg:C00940 + kegg:C00041',\n", + " 'L-glutamine(aq) + pyruvate(aq) = 2-oxoglutaramate(aq) + L-alanine(aq)'),\n", + " ('kegg:C04462 + kegg:C00025 = kegg:C04421 + kegg:C00026',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq) + L-glutamate(aq) = N-succinyl-L-2,6-diaminoheptanedioate(aq) + 2-oxoglutarate(aq)'),\n", + " ('kegg:C00041 + kegg:C00222 = kegg:C00099 + kegg:C00022',\n", + " 'L-alanine + 3-oxopropanoate = beta-alanine + pyruvate'),\n", + " ('kegg:C00334 + kegg:C00026 = kegg:C00232 + kegg:C00025',\n", + " '4-aminobutanoate(aq) + 2-oxoglutarate(aq) = 4-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00133 + kegg:C00026 = kegg:C00022 + kegg:C00217',\n", + " 'D-alanine(aq) + 2-oxoglutarate(aq) = pyruvate(aq) + D-glutamate(aq)'),\n", + " (nan,\n", + " '5-deoxypyridoxamine(aq) + pyruvate(aq) = 5-deoxypyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-aminomethylpyridine(aq) + pyruvate(aq) = 3-hydroxypyridine-4-aldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'ω-methylpyridoxamine(aq) + pyruvate(aq) = ω-methylpyridoxal(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'norpyridoxamine(aq) + pyruvate(aq) = norpyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C00534 + kegg:C00022 = kegg:C00250 + kegg:C00041',\n", + " 'pyridoxamine(aq) + pyruvate(aq) = pyridoxal(aq) + L-alanine(aq)'),\n", + " ('kegg:C04268 + kegg:C00026 = kegg:C11907 + kegg:C00025',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq) + 2-oxoglutarate(aq) = dTDP-4-dehydro-6-deoxy-D-glucose(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00037 + kegg:C00036 = kegg:C00048 + kegg:C00049',\n", + " 'glycine(aq) + oxaloacetate(aq) = glyoxylate(aq) + L-aspartate(aq)'),\n", + " ('kegg:C00956 + kegg:C00026 = kegg:C00322 + kegg:C00025',\n", + " 'L-2-aminoadipate(aq) + 2-oxoglutarate(aq) = 2-oxoadipate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C00168 = kegg:C00065 + kegg:C00022',\n", + " 'L-alanine(aq) + hydroxypyruvate(aq) = L-serine(aq) + pyruvate(aq)'),\n", + " ('kegg:C03232 + kegg:C00025 = kegg:C00026 + kegg:C01005',\n", + " '3-phosphonooxypyruvate(aq) + L-glutamate(aq) = 2-oxoglutarate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 6-amino-D-glucose(aq) = ADP(aq) + 6-amino-D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00095 = kegg:C00008 + kegg:C00085',\n", + " 'ATP(aq) + D-fructose(aq) = ADP(aq) + D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00031 = kegg:C00008 + kegg:C00092',\n", + " 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + D-glucose(aq) = ADP(aq) + D-glucose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00159 = kegg:C00008 + kegg:C00275',\n", + " 'ATP(aq) + D-mannose(aq) = ADP(aq) + D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00124 = kegg:C00008 + kegg:C03384',\n", + " 'ATP(aq) + D-galactose(aq) = ADP(aq) + D-galactose 1-phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00085 = kegg:C00008 + kegg:C00354',\n", + " 'ATP(aq) + D-fructose 6-phosphate(aq) = ADP(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00003 = kegg:C00008 + kegg:C00006',\n", + " 'ATP(aq) + NAD(aq) = ADP(aq) + NADP(aq)'),\n", + " ('kegg:C00002 + kegg:C00882 = kegg:C00008 + kegg:C00010',\n", + " \"ATP(aq) + 3'-dephospho-CoA(aq) = ADP(aq) + CoA(aq)\"),\n", + " ('kegg:C00002 + kegg:C00116 = kegg:C00008 + kegg:C00093',\n", + " 'ATP(aq) + glycerol(aq) = ADP(aq) + sn-glycerol 3-phosphate(aq)'),\n", + " (nan, 'ATP(aq) + lysozyme(aq) = ADP(aq) + phospholysozyme(aq)'),\n", + " (nan, 'ATP(aq) + phosvitin(aq) = ADP(aq) + dephosvitin(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + pyruvate kinase(aq) = ADP(aq) + phosphoenolpyruvate kinase(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00008 + kegg:C00074',\n", + " 'ATP(aq) + pyruvate(aq) = ADP(aq) + phosphoenolpyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C01194 = kegg:C00008 + kegg:C01277',\n", + " 'ATP(aq) + 1-phosphatidyl-1D-myo-inositol(aq) = ADP(aq) + 1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00065 = kegg:C00009 + kegg:C01005',\n", + " 'pyrophosphate(aq) + L-serine(aq) = orthophosphate(aq) + O-phospho-L-serine(aq)'),\n", + " (nan,\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00033 = kegg:C00008 + kegg:C00227',\n", + " 'ATP(aq) + acetate(aq) = ADP(aq) + acetyl phosphate(aq)'),\n", + " (nan,\n", + " 'CoA(aq) + acetate(aq) + ATP(aq) = acetyl-CoA(aq) + ADP (aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01563 = kegg:C00008 + kegg:C00169',\n", + " 'ATP(aq) + ammonium carbamate(aq) = ADP(aq) + carbamoyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00197 = kegg:C00008 + kegg:C00236',\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + 3-phospho-D-glycerate(aq) = ADP-beta-S(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00049 = kegg:C00008 + kegg:C03082',\n", + " 'ATP(aq) + L-aspartate(aq) = ADP(aq) + 4-phospho-L-aspartate(aq)'),\n", + " ('kegg:C00002 + kegg:C00581 = kegg:C00008 + kegg:C03166',\n", + " 'ATP(aq) + guanidinoacetate(aq) = ADP(aq) + phosphoguanidinoacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00300 = kegg:C00008 + kegg:C02305',\n", + " 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + creatine(aq) = ADP(aq) + phosphocreatine(aq)'),\n", + " (nan, 'ATP(aq) + cyclocreatine(aq) = ADP(aq) + phosphocyclocreatine(aq)'),\n", + " (nan, 'ATP-beta-S(aq) + creatine(aq) = ADP-beta-S(aq) + phosphocreatine(aq)'),\n", + " (nan,\n", + " \"adenosine 5'-(alpha, beta-methylene)triphosphate(aq) + creatine(aq) = adenosine 5'-(alpha, beta-methylene)diphosphate(aq) + phosphocreatine(aq)\"),\n", + " (nan,\n", + " 'phosphocreatine(aq) + cyclocreatine(aq) = creatine(aq) + phosphocyclocreatine(aq)'),\n", + " ('kegg:C02305 + kegg:C00001 = kegg:C00300 + kegg:C00009',\n", + " 'phosphocreatine(aq) + H2O(l) = creatine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + N-w-phospho-L-arginine(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + L-arginine(aq) = ADP-beta-S(aq) + N-omega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C01959 = kegg:C00008 + kegg:C03149',\n", + " 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " (nan, 'ATP(aq) + taurocyamine(aq) = ADP(aq) + N-w-phosphotaurocyamine(aq)'),\n", + " ('kegg:C00002 + kegg:C14177 = kegg:C00008 + kegg:C14178',\n", + " 'ATP(aq) + lombricine(aq) = ADP(aq) + N-w-phospholombricine(aq)'),\n", + " ('kegg:C00002 + kegg:C01107 = kegg:C00008 + kegg:C01143',\n", + " 'ATP(aq) + (R)-5-phosphomevalonate(aq) = ADP(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-alpha-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-alpha-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-beta-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-beta-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " (nan,\n", + " 'ATP-gemma-S(aq) + (R)-5-phosphomevalonate(aq) = ADP-gamma-S(aq) + (R)-5-diphosphomevalonate(aq)'),\n", + " ('2 kegg:C00008 = kegg:C00020 + kegg:C00002',\n", + " '2 ADP(aq) = AMP(aq) + ATP(aq)'),\n", + " (nan, 'ADP(aq) + ADP-N1-oxide(aq) = ATP-N1-oxide(aq) + AMP(aq)'),\n", + " ('2 kegg:C00206 = kegg:C00360 + kegg:C00131',\n", + " '2 dADP(aq) = dAMP(aq) + dATP(aq)'),\n", + " ('kegg:C00002 + kegg:C00008 = kegg:C03483 + kegg:C00020',\n", + " \"ATP(aq) + ADP(aq) = adenosine 5'-tetraphosphate(aq) + AMP(aq)\"),\n", + " ('kegg:C00002 + kegg:C00015 = kegg:C00008 + kegg:C00075',\n", + " 'ATP(aq) + UDP(aq) = ADP(aq) + UTP(aq)'),\n", + " ('kegg:C00075 + kegg:C00105 = 2 kegg:C00015',\n", + " 'UTP(aq) + UMP(aq) = 2 UDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00104 = kegg:C00008 + kegg:C00081',\n", + " \"ATP(aq) + inosine 5'-diphosphate(aq) = ADP(aq) + inosine 5'-triphosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00035 = kegg:C00008 + kegg:C00044',\n", + " 'ATP(aq) + GDP(aq) = ADP(aq) + GTP(aq)'),\n", + " ('kegg:C00002 + kegg:C00144 = kegg:C00008 + kegg:C00035',\n", + " 'ATP(aq) + GMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00362 = kegg:C00008 + kegg:C00361',\n", + " 'ATP(aq) + dGMP(aq) = ADP(aq) + dGDP(aq)'),\n", + " ('kegg:C00044 + kegg:C00020 = kegg:C00008 + kegg:C00035',\n", + " 'GTP(aq) + AMP(aq) = ADP(aq) + GDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00364 = kegg:C00008 + kegg:C00363',\n", + " 'ATP(aq) + dTMP(aq) = ADP(aq) + dTDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00055 = kegg:C00008 + kegg:C00112',\n", + " 'ATP(aq) + CMP(aq) = ADP(aq) + CDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00239 = kegg:C00008 + kegg:C00705',\n", + " 'ATP(aq) + dCMP(aq) = ADP(aq) + dCDP(aq)'),\n", + " ('kegg:C00002 + kegg:C00117 = kegg:C00020 + kegg:C00119',\n", + " 'ATP(aq) + D-ribose 5-phosphate(aq) = AMP(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00455 = kegg:C00003 + kegg:C00013',\n", + " 'ATP + beta-Nicotinamide mononucleotide = NAD + pyrophosphate'),\n", + " (nan,\n", + " 'ATP(aq) + beta-Nicotinamide mononucleotide(aq) = NAD(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00224 + kegg:C00013',\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " (nan,\n", + " \"ATP(aq) + sulfate(aq) = adenosine 5'-phosphosulfate(aq) + pyrophosphate(aq)\"),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = 2 kegg:C00009 + kegg:C00224',\n", + " \"ATP(aq) + sulfate(aq) + H2O(l) = 2 orthophosphate(aq) + adenosine 5'-phosphosulfate(aq)\"),\n", + " (nan,\n", + " 'dTTP(aq) + 9/20-DNA-oligomer(aq) = 10/20-DNA-oligomer(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00075 + kegg:C00103 = kegg:C00013 + kegg:C00029',\n", + " 'UTP(aq) + D-glucose 1-phosphate(aq) = pyrophosphate(aq) + UDPglucose(aq)'),\n", + " ('kegg:C00029 + kegg:C03384 = kegg:C00103 + kegg:C00052',\n", + " 'UDPglucose(aq) + D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq) + UDPgalactose(aq)'),\n", + " ('kegg:C03384 = kegg:C00103',\n", + " '-D-galactose 1-phosphate(aq) =-D-glucose 1-phosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00636 = kegg:C00096 + kegg:C00013',\n", + " 'GTP(aq) + D-mannose 1-phosphate(aq) = GDPmannose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00346 = kegg:C00013 + kegg:C00570',\n", + " 'CTP(aq) + O-phosphorylethanolamine(aq) = pyrophosphate(aq) + CDPethanolamine(aq)'),\n", + " ('kegg:C00063 + kegg:C00588 = kegg:C00013 + kegg:C00307',\n", + " 'CTP(aq) + phosphorylcholine(aq) = pyrophosphate(aq) + CDPcholine(aq)'),\n", + " ('kegg:C00075 + kegg:C04256 = kegg:C00043 + kegg:C00013',\n", + " 'UTP(aq) + N-acetyl--D-glucosamine 1-phosphate(aq) = UDP-N-acetyl-D-glucosamine(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00459 + kegg:C00103 = kegg:C00842 + kegg:C00013',\n", + " 'dTTP(aq) + D-glucose 1-phosphate(aq) = dTDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00103 = kegg:C00498 + kegg:C00013',\n", + " 'ATP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00063 + kegg:C00103 = kegg:C00501 + kegg:C00013',\n", + " 'CTP(aq) + D-glucose 1-phosphate(aq) = CDPglucose(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00044 + kegg:C00103 = kegg:C00394 + kegg:C00013',\n", + " 'GTP(aq) + D-glucose 1-phosphate(aq) = GDPglucose(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C00002 + kegg:C01281 = kegg:C00013 + kegg:C01299',\n", + " 'ATP(aq) + [L-glutamate:ammonia ligase(ADP-forming)](aq) = pyrophosphate(aq) + adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'),\n", + " ('kegg:C05385 + kegg:C00075 = kegg:C00167 + kegg:C00013',\n", + " '1-phospho--D-glucuronate(aq) + UTP(aq) = UDP-D-glucuronate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00009 = kegg:C00020 + kegg:C00074 + kegg:C00013',\n", + " 'ATP(aq) + pyruvate(aq) + orthophosphate(aq) = AMP(aq) + phosphoenolpyruvate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00091 + kegg:C00164 = kegg:C00042 + kegg:C00332',\n", + " 'succinyl-CoA(aq) + acetoacetate(aq) = succinate(aq) + acetoacetyl-CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C00164 = kegg:C00332 + kegg:C00033',\n", + " 'acetyl-CoA(aq) + acetoacetate(aq) = acetoacetyl-CoA(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol qiester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol monoester(sln) + H2O(sln) = n-decanoic acid(sln) + glycerol(sln)'),\n", + " (nan,\n", + " 'n-decanoic acid glycerol triester(sln) + H2O(sln) = n-decanoic acid(sln) + n-decanoic acid glycerol diester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid glycerol diester(sln) + H2O(sln) = n-octanoic add(sln) + n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln)'),\n", + " (nan,\n", + " 'n-octanoic acid ilycerol monoester(sln) + ij,O(sln) = n-octanoic acid(sln) + glycerol(sln)'),\n", + " ('kegg:C01996 + kegg:C00001 = kegg:C00033 + kegg:C00114',\n", + " 'acetylcholine(aq) + H2O(l) = acetate(aq) + choline(aq)'),\n", + " ('kegg:C02588 + kegg:C00001 = kegg:C00473 + kegg:C00249',\n", + " 'retinyl palmitate(aq) + H2O(l) = retinol(aq) + palmitate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate-2-(aq) + H2O(l) = acetate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00008 + kegg:C00001 = kegg:C00020 + kegg:C00009',\n", + " 'ADP-3-(aq) + H2O(l) = AMP-2--(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP-2--(aq) + H2O(l) = adenosine(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00212 + kegg:C00009',\n", + " 'AMP(aq) + H2O(l) = adenosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C01094 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 1-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00354 + kegg:C00001 = kegg:C00085 + kegg:C00009',\n", + " 'D-fructose 1,6-bisphosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01094 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 1-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C00001 = kegg:C00095 + kegg:C00009',\n", + " 'D-fructose 6-phosphate(aq) + H2O(l) = D-fructose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01113 + kegg:C00001 = kegg:C00124 + kegg:C00009',\n", + " 'D-galactose 6-phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00035 + 2 kegg:C00001 = kegg:C00387 + 2 kegg:C00009',\n", + " 'GDP(aq) + 2 H2O(l) = guanosine(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C00092 + kegg:C00001 = kegg:C00031 + kegg:C00009',\n", + " 'D-glucose 6-phosphate(aq) + H2O(l) = D-glucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00144 + kegg:C00001 = kegg:C00387 + kegg:C00009',\n", + " 'GMP(aq) + H2O(l) = guanosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00044 + 3 kegg:C00001 = kegg:C00387 + 3 kegg:C00009',\n", + " 'GTP(aq) + 3 H2O(l) = guanosine(aq) + 3 orthophosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00001 = kegg:C00294 + kegg:C00009',\n", + " 'IMP(aq) + H2O(l) = inosine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00275 + kegg:C00001 = kegg:C00159 + kegg:C00009',\n", + " 'D-mannose 6-phosphate(aq) + H2O(l) = D-mannose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03360 + kegg:C00001 = kegg:C00870 + kegg:C00009',\n", + " '4-nitrophenyl phosphate(aq) + H2O(l) = 4-nitrophenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C02734 + kegg:C00001 = kegg:C00146 + kegg:C00009',\n", + " 'phenyl phosphate(aq) + H2O(l) = phenol(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00197 + kegg:C00001 = kegg:C00258 + kegg:C00009',\n", + " '(R)-3-phosphoglycerate(aq) + H2O(l) = (R)-glycerate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03166 + kegg:C00001 = kegg:C00581 + kegg:C00009',\n", + " 'phosphoguanidinoacetate(aq) + H2O(l) = guanidinoacetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00001 = kegg:C00022 + kegg:C00009',\n", + " 'phosphoenolpyruvate3-(aq) + H2O(l) = pyruvate-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00588 + kegg:C00001 = kegg:C00114 + kegg:C00009',\n", + " 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " (nan, 'phosphorylcholine(aq) + H2O(l) = choline(aq) + orthophosphate(aq)'),\n", + " ('kegg:C01005 + kegg:C00001 = kegg:C00065 + kegg:C00009',\n", + " 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C03149 + kegg:C00001 = kegg:C01959 + kegg:C00009',\n", + " 'phosphotaurocyamine(aq) + H2O(l) = taurocyamine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00013 + kegg:C00001 = 2 kegg:C00009',\n", + " 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00117 + kegg:C00001 = kegg:C00121 + kegg:C00009',\n", + " 'D-ribose 5-phosphate(aq) + H2O(l) = D-ribose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00199 + kegg:C00001 = kegg:C00309 + kegg:C00009',\n", + " 'D-ribulose 5-phosphate(aq) + H2O(l) = D-ribulose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00227 + kegg:C00001 = kegg:C00033 + kegg:C00009',\n", + " 'acetyl phosphate(aq) + H2O(l) = acetate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + 3 kegg:C00001 = kegg:C00212 + 3 kegg:C00009',\n", + " 'ATP(aq) + 3 H2O(l) = adenosine(aq) + 3 orthophosphate(aq)'),\n", + " (nan,\n", + " 'L-alpha-glycerophosphate(aq) + H2O(l) = glycerol(aq) + orthophosphate(aq) '),\n", + " (nan, 'L-O-phosphoserine(aq) + H2O(l) = L-serine(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C00020',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00968 + kegg:C00001 = kegg:C00360',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = 2'-deoxyadenosine 5'-monophosphate(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = GMP(aq)\"),\n", + " ('kegg:C00943 + kegg:C00001 = kegg:C00130',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = IMP(aq)\"),\n", + " (nan, \"uridine 3':5'-(cyclic)phosphate(aq) + H2O(l) = UMP(aq)\"),\n", + " ('kegg:C00575 + kegg:C00001 = kegg:C01367',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = adenosine 3'-monophosphate(aq)\"),\n", + " ('kegg:C02052 + kegg:C00001 = 2 kegg:C00208',\n", + " 'maltotetraose(aq) + H2O(l) = 2 maltose(aq)'),\n", + " ('kegg:C01083 + kegg:C00001 = 2 kegg:C00031',\n", + " ',-trehalose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " 'isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02160 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'isomaltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01936 + 5 kegg:C00001 = 6 kegg:C00031',\n", + " 'maltohexaose(aq) + 5 H2O(l) = 6 D-glucose(aq)'),\n", + " ('kegg:C00208 + kegg:C00001 = 2 kegg:C00031',\n", + " 'maltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C02052 + 3 kegg:C00001 = 4 kegg:C00031',\n", + " 'maltotetraose(aq) + 3 H2O(l) = 4 D-glucose(aq)'),\n", + " ('kegg:C01835 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'maltotriose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C00713 + 2 kegg:C00001 = 3 kegg:C00031',\n", + " 'panose(aq) + 2 H2O(l) = 3 D-glucose(aq)'),\n", + " ('kegg:C01742 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'palatinose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C19636 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'D-turanose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00185 + kegg:C00001 = 2 kegg:C00031',\n", + " 'cellobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C08240 + kegg:C00001 = 2 kegg:C00031',\n", + " '-gentiobiose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C05402 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " '-D-melibiose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C00243 + kegg:C00001 = kegg:C00124 + kegg:C00031',\n", + " 'lactose(aq) + H2O(l) = D-galactose(aq) + D-glucose(aq)'),\n", + " ('kegg:C07064 + kegg:C00001 = kegg:C00124 + kegg:C00095',\n", + " 'lactulose(aq) + H2O(l) = D-galactose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00492 + kegg:C00001 = kegg:C05402 + kegg:C00095',\n", + " 'raffinose(aq) + H2O(l) =-D-melibiose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00089 + kegg:C00001 = kegg:C00031 + kegg:C00095',\n", + " 'sucrose(aq) + H2O(l) = D-glucose(aq) + D-fructose(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00147 + kegg:C00117',\n", + " 'AMP(aq) + H2O(l) = adenine(aq) + D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00153 + kegg:C01882',\n", + " 'NAD(aq) + H2O(l) = nicotinamide(aq) + ADPribose(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00147 + kegg:C00121',\n", + " 'adenosine(aq) + H2O(l) = adenine(aq) + D-ribose(aq)'),\n", + " ('kegg:C00021 + kegg:C00001 = kegg:C00212 + kegg:C00155',\n", + " 'S-adenosyl-L-homocysteine(aq) + H2O(l) = adenosine(aq) + L-homocysteine(aq)'),\n", + " ('kegg:C00152 + kegg:C00001 = kegg:C00049 + kegg:C00014',\n", + " 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " ('kegg:C00064 + kegg:C00001 = kegg:C00025 + kegg:C00014',\n", + " 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'γ-glutamohydroxamic acid(aq) + H20(l) = L-glutamate(aq) + hydroxylamine(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = kegg:C00014 + kegg:C00288',\n", + " 'carbamate(aq) + H2O(l) = ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00086 + 2 kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " (nan, 'urea(aq) + 2 H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C07761 + kegg:C00001 = kegg:C02595 + kegg:C07756',\n", + " 'cephalothin(aq) + H2O(l) = 2-thienylacetic acid(aq) + 7-aminocephalosporanic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C02954 + kegg:C07086',\n", + " 'penicillin G-(aq) + H2O(l) = 6-aminopenicillanic acid-(aq) + phenylacetic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C08126 + kegg:C00001 = kegg:C02954 + kegg:C02181',\n", + " 'phenoxymethylpenicillin-(aq) + H2O(l) = 6-aminopenicillanate-(aq) + phenoxyacetate(aq)'),\n", + " ('kegg:C05598 + kegg:C00001 = kegg:C07086 + kegg:C00037',\n", + " 'phenylacetylglycine(aq) + H2O(l) = phenylacetic acid(aq) + glycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00033 + kegg:C00073',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = acetate(aq) + L-methionine(aq)'),\n", + " ('kegg:C00864 + kegg:C00001 = kegg:C00522 + kegg:C00099',\n", + " 'pantothenate + H2O = pantoic acid + beta-alanine'),\n", + " ('kegg:C00337 + kegg:C00001 = kegg:C00438',\n", + " '(S)-dihydroorotate(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C03703 + kegg:C00001 = kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq) + H2O(l) = N-carbamoyl-L-aspartate(aq)'),\n", + " (nan, 'ampicillin(aq) + H2O(l) = ampicillinoic\\xa0acid(aq)'),\n", + " ('kegg:C05551 + kegg:C00001 = kegg:C06567',\n", + " 'penicillin G(aq) + H2O(l) = penicillinoic acid(aq)'),\n", + " (nan,\n", + " 'phenoxymethylpenicillin(aq) + H2O(l) = phenoxymethylpenicillinoic acid(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00077 + kegg:C00086',\n", + " 'L-arginine(aq) + H2O(l) = L-ornithine(aq) + urea(aq)'),\n", + " ('kegg:C00499 + kegg:C00001 = kegg:C00603 + kegg:C00086',\n", + " 'allantoate(aq) + H2O(l) = (-)-ureidoglycolate(aq) + urea(aq)'),\n", + " ('kegg:C00062 + kegg:C00001 = kegg:C00327 + kegg:C00014',\n", + " 'L-arginine(aq) + H2O(l) = L-citrulline(aq) + ammonia(aq)'),\n", + " ('kegg:C00212 + kegg:C00001 = kegg:C00294 + kegg:C00014',\n", + " 'adenosine(aq) + H2O(l) = inosine(aq) + ammonia(aq)'),\n", + " ('kegg:C00475 + kegg:C00001 = kegg:C00299 + kegg:C00014',\n", + " 'cytidine(aq) + H2O(l) = uridine(aq) + ammonia(aq)'),\n", + " ('kegg:C00020 + kegg:C00001 = kegg:C00130 + kegg:C00014',\n", + " 'AMP(aq) + H2O(l) = IMP(aq) + ammonia(aq)'),\n", + " ('kegg:C00445 + kegg:C00001 = kegg:C00234',\n", + " '5,10-methenyltetrahydrofolate(aq) + H2O(l) = 10-formyltetrahydrofolate(aq)'),\n", + " (nan, 'pyrophosphate(aq) + H2O(l) = 2 orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 + kegg:C00001 = kegg:C00224 + 2 kegg:C00009',\n", + " 'ATP(aq) + sulfate(aq) + H2O(l) = adenylyl sulfate(aq) + 2 orthophosphate(aq)'),\n", + " ('kegg:C02466 + kegg:C00001 = kegg:C00536',\n", + " 'trimetaphosphate(aq) + H2O(l) = triphosphate(aq)'),\n", + " ('kegg:C00003 + kegg:C00001 = kegg:C00455 + kegg:C00020',\n", + " 'NAD(aq) + H2O(l) =-nicotinamide mononucleotide(aq) + AMP(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP(aq) + H2O(l) = ADP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00001 = kegg:C00008 + kegg:C00009',\n", + " 'ATP-4-(aq) + H2O(l) = ADP-3-(aq) + HPO4-2-(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C00035 + kegg:C00009',\n", + " 'GTP(aq) + H2O(l) = GDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00104 + kegg:C00009',\n", + " 'ITP(aq) + H2O(l) = IDP(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00081 + kegg:C00036 + kegg:C00001 = kegg:C00104 + kegg:C00074 + kegg:C00288',\n", + " 'ITP(aq) + oxaloacetate(aq) + H2O(l) = IDP(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00013 + kegg:C00036 + kegg:C00001 = kegg:C00009 + kegg:C00074 + kegg:C00288',\n", + " 'diphosphate(aq) + oxaloacetate(aq) + H2O(l) = phosphate(aq) + phosphoenolpyruvate(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-biphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C03394 = kegg:C00067 + kegg:C00111',\n", + " 'erythrulose 1-phosphate(aq) = formaldehyde(aq) + glycerone phosphate(aq)'),\n", + " ('kegg:C00673 = kegg:C00118 + kegg:C00084',\n", + " '2-deoxy-D-ribose 5-phosphate(aq) = D-glyceraldehyde 3-phosphate(aq) + acetaldehyde(aq)'),\n", + " (nan,\n", + " '5,6-dideoxyfructose 1-phosphate(aq) = glycerone phosphate(aq) + propionaldehyde(aq)'),\n", + " ('kegg:C00354 = kegg:C00111 + kegg:C00118',\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01094 = kegg:C00577 + kegg:C00111',\n", + " 'D-fructose 1-phosphate(aq) = D-glyceraldehyde(aq) + glycerone phosphate(aq)'),\n", + " (nan,\n", + " 'methylerythrulose 1-phosphate(aq) = acetaldehyde(aq) + glycerone phosphate (aq)'),\n", + " ('kegg:C00354 = 2 kegg:C00111',\n", + " 'D-fructose 1,6-bisphosphate(aq) = 2 glycerone phosphate(aq)'),\n", + " ('kegg:C04442 = kegg:C00022 + kegg:C00118',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C01099 = kegg:C00111 + kegg:C00424',\n", + " 'L-fuculose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C06159 = kegg:C00022 + kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq) = pyruvate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C00684 = kegg:C00022 + kegg:C00266',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq) = pyruvate(aq) + glycolaldehyde(aq)'),\n", + " ('kegg:C01131 = kegg:C00111 + kegg:C00424',\n", + " 'L-rhamnulose 1-phosphate(aq) = glycerone phosphate(aq) + (S)-lactaldehyde(aq)'),\n", + " ('kegg:C01286 = kegg:C00022 + kegg:C00118',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq) = pyruvate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C06019 = kegg:C00199 + kegg:C00067',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-ribulose 5-phosphate(aq) + formaldehyde(aq)'),\n", + " ('kegg:C00311 = kegg:C00042 + kegg:C00048',\n", + " 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " (nan, '(S)-malate(aq) + CoA(aq) = acetyl-CoA(aq) + H2O(l) + glyoxylate(aq)'),\n", + " ('kegg:C00270 = kegg:C00645 + kegg:C00022',\n", + " 'N-acetylneuraminate(aq) = N-acetyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00158 = kegg:C00033 + kegg:C00036',\n", + " 'citrate(aq) = acetate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00036 + kegg:C00024 + kegg:C00001 = kegg:C00158 + kegg:C00010',\n", + " 'oxaloacetate(aq) + acetyl-CoA(aq) + H2O(l) = citrate(aq) + CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00158 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00024 + kegg:C00036',\n", + " 'ATP(aq) + citrate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + acetyl-CoA(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C01127 = kegg:C00022 + kegg:C00048',\n", + " '4-hydroxy-2-oxoglutarate(aq) = pyruvate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C02614 = kegg:C00033 + kegg:C00022',\n", + " '(S)-2-methylmalate(aq) = acetate(aq) + pyruvate(aq)'),\n", + " ('kegg:C04348 = kegg:C00024 + kegg:C00048',\n", + " '(R,S)-malyl-CoA(aq) = acetyl-CoA(aq) + glyoxylate(aq)'),\n", + " ('kegg:C03652 = kegg:C00163 + kegg:C00022',\n", + " '2,3-dimethylmalate(aq) = propanoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C00078 + kegg:C00001 = kegg:C00463 + kegg:C00022 + kegg:C00014',\n", + " 'L-tryptophan(aq) + H2O(l) = indole(aq) + pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00122 + kegg:C00001 = kegg:C00149',\n", + " 'fumarate(aq) + H2O(l) = (S)-malate(aq)'),\n", + " ('kegg:C00158 = kegg:C00417 + kegg:C00001',\n", + " 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'citrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00417 + kegg:C00001',\n", + " 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " (nan, 'isocitrate(aq) = cis-aconitate(aq) + H2O(l)'),\n", + " ('kegg:C00311 = kegg:C00158', 'isocitrate(aq) = citrate(aq)'),\n", + " (nan, 'isocitrate(aq) = citrate(aq)'),\n", + " ('kegg:C00944 = kegg:C02637 + kegg:C00001',\n", + " '3-dehydroquinate(aq) = 3-dehydroshikimate(aq) + H2O(l)'),\n", + " ('kegg:C00631 = kegg:C00074 + kegg:C00001',\n", + " '2-phospho-D-glycerate(aq) = phosphoenolpyruvate(aq) + H2O(l)'),\n", + " ('kegg:C03561 = kegg:C00877 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq) = cis-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " (nan, '(3R)-3-hydroxyhexanoyl-CoA(aq) = cis-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C05268 = kegg:C05271 + kegg:C00001',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq) = trans-hex-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00118 + kegg:C00463 = kegg:C03506',\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00065 = kegg:C00078 + kegg:C00001',\n", + " 'indole(aq) + L-serine(aq) = L-tryptophan(aq) + H2O(l)'),\n", + " ('kegg:C03506 + kegg:C00065 = kegg:C00078 + kegg:C00118 + kegg:C00001',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " (nan, '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C00065 = kegg:C00022 + kegg:C00014',\n", + " 'L-serine(aq) = pyruvate(aq) + ammonia(aq)'),\n", + " ('kegg:C00497 = kegg:C01384 + kegg:C00001',\n", + " '(R)-malate(aq) = maleate(aq) + H2O(l)'),\n", + " ('kegg:C02614 = kegg:C01732 + kegg:C00001',\n", + " '(S)-2-methylmalate(aq) = 2-methylfumarate(aq) + H2O(l)'),\n", + " (nan, '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C02612 = kegg:C02226 + kegg:C00001',\n", + " '(R)-2-methylmalate(aq) = 2-methylmaleate(aq) + H2O(l)'),\n", + " (nan,\n", + " 'gamma-fluoroglutamate(aq) = trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq) + H2O(l)'),\n", + " ('kegg:C00217 = kegg:C02237 + kegg:C00001',\n", + " 'D-glutamate(aq) = 5-oxo-D-proline(aq) + H2O(l)'),\n", + " ('kegg:C00785 + kegg:C00001 = kegg:C03680',\n", + " 'urocanate(aq) + H2O(l) = 4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'),\n", + " ('kegg:C04618 = kegg:C04246 + kegg:C00001',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq) = cis-but-2-enoyl-[acyl-carrier protein](aq) + H2O(l)'),\n", + " ('kegg:C03652 = kegg:C00922 + kegg:C00001',\n", + " '(2R,3S)-2,3-dimethylmalate(aq) = dimethylmaleate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq) = trans-but-2-enoyl-CoA(aq) + H2O(l)'),\n", + " ('kegg:C00049 = kegg:C00122 + kegg:C00014',\n", + " 'L-aspartate(aq) = fumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C03618 = kegg:C01732 + kegg:C00014',\n", + " 'L-threo-3-methylaspartate(aq) = 2-methylfumarate(aq) + ammonia(aq)'),\n", + " ('kegg:C00135 = kegg:C00785 + kegg:C00014',\n", + " 'L-histidine(aq) = urocanate(aq) + ammonia(aq)'),\n", + " ('kegg:C00079 = kegg:C00423 + kegg:C00014',\n", + " 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'L-phenylalanine(aq) = trans-cinnamate(aq) + ammonia(aq)'),\n", + " (nan, 'beta-alanylpantetheine(aq) = acrylylpantetheine(aq) + ammonia(aq)'),\n", + " ('kegg:C03406 = kegg:C00122 + kegg:C00062',\n", + " 'N-(L-argino)succinate(aq) = fumarate(aq) + L-arginine(aq)'),\n", + " ('kegg:C03794 = kegg:C00122 + kegg:C00020',\n", + " 'adenylosuccinate(aq) = fumarate(aq) + AMP(aq)'),\n", + " ('kegg:C04823 = kegg:C00122 + kegg:C04677',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole = Fumarate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"),\n", + " ('kegg:C00603 = kegg:C00048 + kegg:C00086',\n", + " '(-)-ureidoglycolate(aq) = glyoxylate(aq) + urea(aq)'),\n", + " ('kegg:C03451 = kegg:C00051 + kegg:C00546',\n", + " '(R)-S-lactoylglutathione(aq) = glutathione (reduced)(aq) + methylglyoxal(aq)'),\n", + " ('kegg:C00002 = kegg:C00575 + kegg:C00013',\n", + " \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " (nan, \"ATP(aq) = adenosine 3':5'-(cyclic)phosphate(aq) + diphosphate(aq)\"),\n", + " ('kegg:C00041 = kegg:C00133', 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00025 = kegg:C00217', 'L-glutamate(aq) = D-glutamate(aq)'),\n", + " ('kegg:C00047 = kegg:C00739', 'L-lysine(aq) = D-lysine(aq)'),\n", + " ('kegg:C00666 = kegg:C00680',\n", + " 'L,L-2,6-diaminoheptanedioate(aq) = meso-diaminoheptanedioate(aq)'),\n", + " ('kegg:C01157 = kegg:C03440',\n", + " 'trans-4-hydroxy-L-proline(aq) = cis-4-hydroxy-D-proline(aq)'),\n", + " ('kegg:C00123 = kegg:C01570', 'L-leucine(aq) = D-leucine(aq)'),\n", + " (nan, 'L-alpha-amino-n-butyrate(aq) = D-alpha-amino-n-butyrate(aq)'),\n", + " ('kegg:C00199 = kegg:C00231',\n", + " 'D-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00029 = kegg:C00052', 'UDPglucose(aq) = UDPgalactose(aq)'),\n", + " (nan, 'UDP-D-quinovose(aq) = UDP-D-fucose(aq)'),\n", + " ('kegg:C01101 = kegg:C00231',\n", + " 'L-ribulose 5-phosphate(aq) = D-xylulose 5-phosphate(aq)'),\n", + " ('kegg:C00935 = kegg:C00190', 'UDP-L-arabinose(aq) = UDP-D-xylose(aq)'),\n", + " ('kegg:C00167 = kegg:C00617',\n", + " 'UDP-D-glucuronate(aq) = UDP-D-galacturonate(aq)'),\n", + " ('kegg:C00140 = kegg:C00645',\n", + " 'N-acetyl-D-glucosamine(aq) = N-acetyl-D-mannosamine(aq)'),\n", + " ('kegg:C00357 = kegg:C04257',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq) = N-acetyl-D-mannosamine 6-phosphate(aq)'),\n", + " ('kegg:C03598 = kegg:C03599',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq) = CDP-3,6-dideoxy-D-mannose(aq)'),\n", + " ('kegg:C00668 = kegg:C01172',\n", + " 'alpha-D-Glucose 6-phosphate(aq) = beta-D-Glucose 6-phosphate(aq)'),\n", + " ('kegg:C00096 = kegg:C02280', 'GDPmannose(aq) = GDP-L-galactose(aq)'),\n", + " ('kegg:C01213 = kegg:C00683',\n", + " '(R)-methylmalonyl-CoA(aq) = (S)-methylmalonyl-CoA(aq)'),\n", + " ('kegg:C00376 = kegg:C02110', 'all-trans-retinal(aq) = 11-cis-retinal(aq)'),\n", + " ('kegg:C01595 = kegg:C04056',\n", + " '9-cis,12-cis-octadecadienoate(aq) = 9-cis,11-trans-octadecadienoate(aq)'),\n", + " ('kegg:C00118 = kegg:C00111',\n", + " 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " (nan, 'D-glyceraldehyde 3-phosphate(aq) = glycerone phosphate(aq)'),\n", + " ('kegg:C01796 = kegg:C02022', 'D-erythrose(aq) = D-erythrulose(aq)'),\n", + " (nan, 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C00216 = kegg:C00309', 'D-arabinose(aq) = D-ribulose(aq)'),\n", + " ('kegg:C01019 = kegg:C01721', 'L-fucose(aq) = L-fuculose(aq)'),\n", + " ('kegg:C00259 = kegg:C00508', 'L-arabinose(aq) = L-ribulose(aq)'),\n", + " ('kegg:C00031 = kegg:C00095', 'D-glucose(aq) = D-fructose(aq)'),\n", + " ('kegg:C06468 = kegg:C01487', 'D-psicose(aq) =-D-allose(aq)'),\n", + " ('kegg:C06468 = kegg:C06464', 'D-psicose(aq) = D-altrose(aq)'),\n", + " ('kegg:C00181 = kegg:C00310', 'D-xylose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00117 = kegg:C00199',\n", + " 'D-ribose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00476 = kegg:C00310', 'D-lyxose(aq) = D-xylulose(aq)'),\n", + " ('kegg:C00159 = kegg:C00095', 'D-mannose(aq) = D-fructose(aq)'),\n", + " (nan, 'D-rhamnose(aq) = D-rhamnulose(aq)'),\n", + " ('kegg:C00275 = kegg:C00085',\n", + " 'D-mannose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan,\n", + " '6-amino-D-glucose 6-phosphate(aq) = 6-amino-D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00092 = kegg:C00085',\n", + " 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " (nan, 'D-glucose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00352 + kegg:C00001 = kegg:C00085 + kegg:C00014',\n", + " 'D-glucosamine 6-phosphate(aq) + H2O(l) = D-fructose 6-phosphate(aq) + ammonia(aq)'),\n", + " ('kegg:C00333 = kegg:C00558', 'D-galacturonate(aq) = D-tagaturonate(aq)'),\n", + " ('kegg:C00191 = kegg:C00905', 'D-glucuronate(aq) = D-fructuronate(aq)'),\n", + " ('kegg:C01112 = kegg:C00199',\n", + " 'D-arabinose 5-phosphate(aq) = D-ribulose 5-phosphate(aq)'),\n", + " ('kegg:C00507 = kegg:C00861', 'L-rhamnose(aq) = L-rhamnulose(aq)'),\n", + " ('kegg:C00121 = kegg:C00309', 'D-ribose(aq) = D-ribulose(aq)'),\n", + " (nan, 'L-mannose(aq) = L-fructose(aq)'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq) = D-fructose 6-phosphate(aq)'),\n", + " ('kegg:C00166 = kegg:C02763',\n", + " 'keto-phenylpyruvate(aq) = enol-phenylpyruvate(aq)'),\n", + " (nan, 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00036 = kegg:C03981',\n", + " 'keto-oxaloacetate(aq) = enol-oxaloacetate(aq)'),\n", + " ('kegg:C00129 = kegg:C00235',\n", + " 'isopentenyl diphosphate(aq) = dimethylallyl diphosphate(aq)'),\n", + " ('kegg:C02295 = kegg:C00922', 'methylitaconate(aq) = dimethylmaleate(aq)'),\n", + " ('kegg:C00631 = kegg:C00197',\n", + " '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan, '2-phospho-D-glycerate(aq) = 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C00352 = kegg:C06156',\n", + " 'D-glucosamine 6-phosphate(aq) = D-glucosamine 1-phosphate(aq)'),\n", + " ('kegg:C00085 + kegg:C01231 = kegg:C00092 + kegg:C00354',\n", + " 'D-fructose 6-phosphate(aq) + D-glucose 1,6-diphosphate(aq) =-D-glucose 6-phosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00103 = kegg:C00092',\n", + " '-D-glucose 1-phosphate(aq) =-D-glucose 6-phosphate(aq)'),\n", + " (nan, '6-thioglucose 6-phosphate(aq) = 6-thioglucose I-phosphate(aq)'),\n", + " ('kegg:C04256 = kegg:C00357',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq) = N-acetyl-D-glucosamine 6-phosphate(aq)'),\n", + " ('kegg:C00620 = kegg:C00117',\n", + " 'D-ribose 1-phosphate(aq) = D-ribose 5-phosphate(aq)'),\n", + " ('kegg:C00636 = kegg:C00275',\n", + " 'D-mannose 1-phosphate(aq) = D-mannose 6-phosphate(aq)'),\n", + " ('kegg:C00047 = kegg:C01142', 'L-lysine(aq) = (3S)-3,6-diaminohexanoate(aq)'),\n", + " ('kegg:C00515 = kegg:C03943',\n", + " 'D-ornithine(aq) = D-threo-2,4-diaminopentanoate(aq)'),\n", + " ('kegg:C03618 = kegg:C00025',\n", + " 'L-threo-3-methylaspartate(aq) = L-glutamate(aq)'),\n", + " ('kegg:C01213 = kegg:C00091', '(R)-methylmalonyl-CoA(aq) = succinyl-CoA(aq)'),\n", + " ('kegg:C02930 = kegg:C02295',\n", + " '2-methyleneglutarate(aq) = methylitaconate(aq)'),\n", + " ('kegg:C04105 = kegg:C02480',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq) = cis-cis-hexadienedioate(aq)'),\n", + " ('kegg:C03178 = kegg:C03314',\n", + " 'tetrahydroxypteridine(aq) = xanthine-8-carboxylate(aq)'),\n", + " ('kegg:C00002 + kegg:C00183 + kegg:C01653 = kegg:C00020 + kegg:C00013 + kegg:C02554',\n", + " 'ATP + L-valine + tRNA(Val) = AMP + diphosphate + L-Valyl-tRNA(Val)'),\n", + " ('kegg:C00002 + kegg:C00033 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00024',\n", + " 'ATP(aq) + acetate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + acetyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00163 + kegg:C00010 = kegg:C00020 + kegg:C00013 + kegg:C00100',\n", + " 'ATP(aq) + propanoate(aq) + CoA(aq) = AMP(aq) + diphosphate(aq) + propanonyl-CoA(aq)'),\n", + " ('kegg:C00044 + kegg:C00042 + kegg:C00010 = kegg:C00035 + kegg:C00009 + kegg:C00091',\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " (nan,\n", + " 'GTP(aq) + succinate(aq) + CoA(aq) = GDP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00042 + kegg:C00010 = kegg:C00008 + kegg:C00009 + kegg:C00091',\n", + " 'ATP(aq) + succinate(aq) + CoA(aq) = ADP(aq) + phosphate(aq) + succinyl-CoA(aq)'),\n", + " ('kegg:C00002 + kegg:C00025 + kegg:C00014 = kegg:C00008 + kegg:C00009 + kegg:C00064',\n", + " 'ATP(aq) + L-glutamate(aq) + ammonia(aq) = ADP(aq) + phosphate(aq) + L-glutamine(aq)'),\n", + " ('kegg:C00002 + kegg:C00058 + kegg:C00101 = kegg:C00008 + kegg:C00009 + kegg:C00234',\n", + " 'ATP(aq) + formate(aq) + tetrahydrofolate(aq) = ADP(aq) + phosphate(aq) + 10-formyltetrahydrofolate(aq)'),\n", + " ('kegg:C00044 + kegg:C00130 + kegg:C00049 = kegg:C00035 + kegg:C00009 + kegg:C03794',\n", + " 'GTP(aq) + IMP(aq) + L-aspartate(aq) = GDP(aq) + phosphate(aq) + adenylosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00327 + kegg:C00049 = kegg:C00020 + kegg:C00013 + kegg:C03406',\n", + " 'ATP(aq) + L-citrulline(aq) + L-aspartate(aq) = AMP(aq) + diphosphate(aq) + L-arginosuccinate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C00036',\n", + " 'ATP(aq) + pyruvate(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + oxaloacetate(aq)'),\n", + " ('kegg:C00002 + kegg:C00100 + kegg:C00288 = kegg:C00008 + kegg:C00009 + kegg:C02557',\n", + " 'ATP(aq) + propanoyl-CoA(aq) + carbon dioxide(aq) = ADP(aq) + phosphate(aq) + methylmalonyl-CoA(aq)'),\n", + " ('kegg:C01904 + kegg:C00003 = kegg:C00309 + kegg:C00004',\n", + " 'D-arabitol(aq) + NAD(aq) = D-ribulose(aq) + NADH(aq)'),\n", + " ('kegg:C00392 + kegg:C00006 = kegg:C00095 + kegg:C00005',\n", + " 'D-mannitol(aq) + NADP(aq) = D-fructose(aq) + NADPH(aq)'),\n", + " ('kegg:C15025 + kegg:C00003 = kegg:C02636 + kegg:C00004',\n", + " 'D-carnitine(aq) + NAD(aq) = 3-dehydrocarnitine(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00584 + kegg:C00003 = kegg:C04707 + kegg:C00004',\n", + " 'prostaglandin E2(aq) + NAD(aq) = 15-oxo-prostaglandin E2(aq) + NADH(aq)'),\n", + " ('kegg:C00031 + kegg:C00007 = kegg:C00198 + kegg:C00027',\n", + " '-D-glucose(aq) + O2(aq) = D-glucono-1,5-lactone(aq) + H2O2(aq)'),\n", + " (nan, 'beta-D-glucose(aq) + 1/2 O2(aq) = D-glucono-1,5-lactone(aq) + H2O(l)'),\n", + " ('kegg:C00187 + kegg:C00007 = kegg:C00599 + kegg:C00027',\n", + " 'cholesterol(aq) + O2(aq) = cholest-4-en-3-one(aq) + H2O2(aq)'),\n", + " ('kegg:C00187 + 0.5 kegg:C00007 = kegg:C00599 + kegg:C00001',\n", + " 'cholesterol(aq) + 1/2 O2(aq) = cholest-4-en-3-one(aq) + H2O(l)'),\n", + " ('kegg:C00254 + kegg:C00003 = kegg:C01179 + kegg:C00004 + kegg:C00288',\n", + " 'prephenate(aq) + NAD(aq) = 4-hydroxyphenylpyruvate(aq) + NADH(aq) + carbon dioxide(aq)'),\n", + " (nan,\n", + " '(S)-dihydroorotate(aq) + oxonic acid(aq) = orotate(aq) + dihydroxonic acid(aq)'),\n", + " ('kegg:C00037 + kegg:C00725 = metanetx.chemical:MNXM39260 + kegg:C00288',\n", + " 'glycine(aq) + lipoate(aq) = S-aminomethyldihydro--lipoate(aq) + carbon dioxide(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00003 = kegg:C00127 + kegg:C00004',\n", + " '2 reduced glutathione(aq) + NAD(aq) = oxidized glutathione(aq) + NADH(aq)'),\n", + " (nan,\n", + " '2 reduced glutathione(aq) + NADP(aq) = oxidized glutathione(aq) + NADPH(aq)'),\n", + " ('kegg:C00366 + 0.5 kegg:C00007 + 2 kegg:C00001 = kegg:C01551 + kegg:C00288',\n", + " 'urate(aq) + 1/2 O2(aq) + 2 H2O(l) = allantoin(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C00027 = 0.5 kegg:C00007 + kegg:C00001',\n", + " 'H2O2(aq) = 1/2 O2(aq) + H2O(l)'),\n", + " (nan, 'H2O2 + reduced thiocyanate = oxidized thiocyanate + H2O'),\n", + " ('kegg:C02278 + kegg:C01847 + kegg:C00007 = kegg:C02679 + kegg:C00061 + kegg:C00001',\n", + " 'dodecanal(aq) + FMN(reduced) + O2(aq) = dodecanoic acid(aq) + FMN(oxidized) + H2O(l)'),\n", + " ('kegg:C00808 + kegg:C00004 + kegg:C00007 = kegg:C03448 + kegg:C00003 + kegg:C00001',\n", + " '(+)-camphor(aq) + NADH(aq) + O2(aq) = (+)-5-exo-hydroxycamphor(aq) + NAD(aq) + H2O(l)'),\n", + " ('kegg:C04377 + kegg:C00037 + kegg:C00001 = kegg:C01217 + kegg:C00065',\n", + " 'CH2-H4PteGlu4(aq) + glycine(aq) + H2O(l) = H4PteGlu4(aq) + L-serine(aq)'),\n", + " ('kegg:C00024 + kegg:C00065 = kegg:C00010 + kegg:C00979',\n", + " 'acetyl-CoA(aq) + L-serine(aq) = CoA(aq) + O-acetyl-L-serine(aq)'),\n", + " ('kegg:C00079 + kegg:C00026 = kegg:C00166 + kegg:C00025',\n", + " 'L-phenylalanine(aq) + 2-oxoglutarate(aq) = phenylpyruvate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00082 + kegg:C00026 = kegg:C01179 + kegg:C00025',\n", + " 'L-tyrosine(aq) + 2-oxoglutarate(aq) = 4-hydroxyphenylpyruvate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 4-methyl-2-oxopentanooate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00041 + kegg:C05665 = kegg:C00022 + kegg:C00986',\n", + " 'L-alanine(aq) + 3-aminopropionaldehyde(aq) = pyruvate(aq) + 1,3-diaminopropane(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + 3-phospho-D-glycerate(aq) = ADP(aq) + 3-phospho-D-glyceroyl phosphate(aq)'),\n", + " ('kegg:C00252 + kegg:C00001 = 2 kegg:C00031',\n", + " '-isomaltose(aq) + H2O(l) = 2 D-glucose(aq)'),\n", + " ('kegg:C01563 + kegg:C00001 = 2 kegg:C00014 + kegg:C00288',\n", + " 'ammonium carbamate(aq) + H2O(l) = 2 ammonia(aq) + carbon dioxide(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-4-hydroxyphenylglycine(aq)'),\n", + " ('kegg:C02712 + kegg:C00001 = kegg:C00073 + kegg:C00033',\n", + " 'N-acetyl-L-methionine(aq) + H2O(l) = L-methionine(aq) + acetate(aq)'),\n", + " ('kegg:C03410 = kegg:C03521 + kegg:C00022',\n", + " 'N-glycolylneuraminate(aq) = N-glycolyl-D-mannosamine(aq) + pyruvate(aq)'),\n", + " ('kegg:C00251 = kegg:C00156 + kegg:C00022',\n", + " 'chorismate(aq) = 4-hydroxybenzoate(aq) + pyruvate(aq)'),\n", + " ('kegg:C06322 + kegg:C00001 = kegg:C06749',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq) + H2O(l) = 6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'),\n", + " (nan,\n", + " 'D-glyceraldehyde 3-phosphate(aq) + indole(aq) = indol-3-yl-glycerol-3-phosphate(aq)'),\n", + " (nan,\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " ('kegg:C00463 + kegg:C00118 = kegg:C03506',\n", + " 'indole(aq) + D-glyceraldehyde 3-phosphate(aq) = 1-(indol-3-yl)glycerol 3-phosphate(aq)'),\n", + " (nan,\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq) + L-serine(aq) = L-tryptophan(aq) + D-glyceraldehyde 3-phosphate(aq) + H2O(l)'),\n", + " ('kegg:C00254 = kegg:C00166 + kegg:C00001 + kegg:C00288',\n", + " 'prephenate(aq) = phenylpyruvate(aq) + H2o(l) + carbon dioxide(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C11355 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 4-amino-4-deoxychorismate(aq) + H2O(l)'),\n", + " ('kegg:C00251 = kegg:C00254', 'chorismate(aq) = prephenate(aq)'),\n", + " ('kegg:C00251 = kegg:C00885', 'chorismate(aq) = isochorismate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C18054 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = 2-amino-2-deoxyisochorismate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-benzyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-benzyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-butanone(sln) + 2-propanol(sln) = (±)-2-butanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclobutanone(sln) + 2-propanol(sln) = cyclobutanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cycloheptanone(sln) + 2-propanol(sln) = cycloheptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclohexanone(sln) + 2-propanol(sln) = cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclooctanone(sln) + 2-propanol(sln) = cyclooctanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " 'cyclopentanone(sln) + 2-propanol(sln) = cyclopentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-heptanone(sln) + 2-propanol(sln) = (S)-2-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-hexanone(sln) + 2-propanol(sln) = (±)-2-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-methyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-methyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-octanone(sln) + 2-propanol(sln) = (S)-(+)-2-octanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-pentanone(sln) + 2-propanol(sln) = (±)-2-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '2-phenyl-1-cyclohexanone(sln) + 2-propanol(sln) = (±)-trans-2-phenyl-1-cyclohexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-ethanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-ethanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-heptanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-heptanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-hexanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-hexanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-pentanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-pentanol(sln) + acetone(sln)'),\n", + " (nan,\n", + " '1-phenyl-1-propanone(sln) + 2-propanol(sln) = (±)-cis-2-phenyl-1-propanol(sln) + acetone(sln)'),\n", + " ('kegg:C01845 + kegg:C00006 = kegg:C00207 + kegg:C00005',\n", + " '2-propanol(aq) + NADP(ox)(aq) = acetone(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00263 + kegg:C00006 = kegg:C00441 + kegg:C00005',\n", + " 'L-homoserine(aq) + NADP(ox)(aq) = L-aspartate 4-semialdehyde(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00644 + kegg:C00003 = kegg:C00085 + kegg:C00004',\n", + " 'D-mannitol-1-phosphate(aq) + NAD(ox)(aq) = D-fructose 6-phosphate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C05984 + kegg:C00003 = kegg:C00109 + kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq) + NAD(ox)(aq) = 2-oxobutanoate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00256 + kegg:C00003 = kegg:C00022 + kegg:C00004',\n", + " '(R)-lactate(aq) + NAD(ox)(aq) = pyruvate(aq) + NAD(red)(aq)'),\n", + " (nan,\n", + " '(2R,3R)-erythro-fluoromalate(aq) + NAD(aq) = (3R)-fluorooxaloacetate(aq) + NADH(aq)'),\n", + " (nan,\n", + " '(S)-malate(aq) + 3-acetylpyridine adenine dinucleotide(ox)(aq) = oxaloacetate(aq) + 3-acetylpyridine adenine dinucleotide(red)(aq)'),\n", + " ('kegg:C00149 + kegg:C00003 = kegg:C00036 + kegg:C00004',\n", + " '(S)-malate(aq) + NAD(ox)(aq) = oxaloacetate(aq) + NAD(red)(aq)'),\n", + " ('kegg:C00314 + kegg:C00006 = kegg:C00250 + kegg:C00005',\n", + " 'pyridoxine(aq) + NADP(ox)(aq) = pyridoxal(aq) + NADP(red)(aq)'),\n", + " ('kegg:C05662 + kegg:C00003 = kegg:C00322 + kegg:C00288 + kegg:C00004',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq) + NAD(ox) = 2-oxoadipate(aq) + carbon dioxide(aq) + NAD(red)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-L-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " (nan,\n", + " 'dTDP-6-deoxy-D-lyxo-4-hexulose(aq) + NAD(aq) = dTDP-L-rhamnose(aq) + NADH(aq)'),\n", + " ('kegg:C00522 + kegg:C00006 = kegg:C00966 + kegg:C00005',\n", + " '(R)-pantoate(aq) + NADP(ox) = 2-dehydropantoate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C15673 + kegg:C00006 = kegg:C02780 + kegg:C00005',\n", + " '2-keto-L-gulonate(aq) + NADP(ox)(aq) = 2,5-diketo-D-gluconate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00385 + kegg:C00001 + kegg:C00007 = kegg:C00366 + kegg:C00027',\n", + " 'xanthine(aq) + H2O(l) + O2(aq) = urate(aq) + H2O2(aq)'),\n", + " ('kegg:C00232 + kegg:C00005 = kegg:C00989 + kegg:C00006',\n", + " '4-oxobutanoate(aq) + NADP(red)(aq) = 4-hydroxybutanoate(aq) + NADP(ox)(aq)'),\n", + " (nan,\n", + " '4-dimethylaminomethylbenzylamine(aq) + H2O(l) + O2(aq) = 4-dimethylaminomethylbenzaldehyde(aq) + ammonia(aq) + H2O2(aq)'),\n", + " (nan,\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00101 + kegg:C00006 = kegg:C00415 + kegg:C00005',\n", + " '5,6,7,8-tetrahydrofolate(aq) + NADP(ox)(aq) = 7,8-dihydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00143 + kegg:C00006 = kegg:C00234 + kegg:C00005',\n", + " '5,10-methylenetetrahydrofolate(aq) + NADP(ox)(aq) = 10-formyltetrahydrofolate(aq) + NADP(red)(aq)'),\n", + " ('kegg:C00449 + kegg:C00003 + kegg:C00001 = kegg:C00047 + kegg:C00026 + kegg:C00004',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine + NAD(ox) + H2O(l) = L-lysine(aq) + 2-oxoglutarate(aq) + NAD(red)'),\n", + " ('kegg:C00004 + kegg:C00006 = kegg:C00003 + kegg:C00005',\n", + " 'NAD(red)(aq) + NADP(ox)(aq) = NAD(ox)(aq) + NADP(red)(aq)'),\n", + " ('2 kegg:C00051 + kegg:C00006 = kegg:C00127 + kegg:C00005',\n", + " '2 glutathoine(red)(aq) + NADP(ox)(aq) = glutathoine(ox)(aq) + NADP(red)(aq)'),\n", + " (nan, '2 glutathione(red)(ox) + NADP(aq) = glutathione(ox)(aq) + NADPH(aq)'),\n", + " ('2 kegg:C00704 = kegg:C00007 + kegg:C00027', '2 O2- = O2 + H2O2'),\n", + " (nan, 'methyl viologen(red)(aq) = methyl viologen(ox)(aq) + H2(g)'),\n", + " ('kegg:C00169 + kegg:C00049 = kegg:C00009 + kegg:C00438',\n", + " 'carbamoyl phosphate(aq) + L-aspartate(aq) = orthophosphate(aq) + N-carbamoyl-L-aspartate(aq)'),\n", + " ('kegg:C04688 + kegg:C00043 = kegg:C03688 + kegg:C04738',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq) + UDP-N-acetyl-D-glucosamine(aq) = acyl-carrier-protein(aq) + UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'),\n", + " (nan,\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C00024 + kegg:C06021 = kegg:C00237 + kegg:C06020 + kegg:C00010',\n", + " 'acetyl-CoA(aq) + corrinoid protein(aq) = carbon monoxide(aq) + methylcorrinoid protein(aq) + CoA(aq)'),\n", + " ('kegg:C05512 + kegg:C00009 = kegg:C00262 + kegg:C00672',\n", + " \"2 '-deoxyinosine(aq) + orthophosphate(aq) = hypoxanthine(aq) + 2-deoxy--D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C00020 + kegg:C00013 = kegg:C00147 + kegg:C00119',\n", + " 'AMP(aq) + pyrophosphate(aq) = adenine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00130 + kegg:C00013 = kegg:C00262 + kegg:C00119',\n", + " 'IMP(aq) + pyrophosphate(aq) = hypoxanthine(aq) + 5-phospho--D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C01103 + kegg:C00013 = kegg:C00295 + kegg:C00119',\n", + " \"orotidine 5 '-phosphate(aq) + pyrophosphate(aq) = orotate(aq) + 5-phospho--D-ribose 1-diphosphate(aq)\"),\n", + " ('kegg:C01185 + kegg:C00013 = kegg:C00253 + kegg:C00119',\n", + " 'Nicotinate D-ribonucleotide(aq) + pyrophosphate(aq) = nicotinic acid(aq) + 5-Phospho-alpha-D-ribose 1-diphosphate(aq)'),\n", + " ('kegg:C00170 + kegg:C00009 = kegg:C00147 + kegg:C04188',\n", + " \"5 '-methylthioadenosine(aq) + orthophosphate(aq) = adenine(aq) + 5-methylthio-D-ribose 1-phosphate(aq)\"),\n", + " ('kegg:C03557 + kegg:C00022 = kegg:C03167 + kegg:C00041',\n", + " '(2-aminoethyl)phosphonate(aq) + pyruvate(aq) = 2-phosphonoacetaldehyde(aq) + L-alanine(aq)'),\n", + " (nan,\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00123 + kegg:C00026 = kegg:C00233 + kegg:C00025',\n", + " 'L-leucine(aq) + 2-oxoglutarate(aq) = 2-oxoisocaproate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-tert-leucine(aq) + 2-oxoglutarate(aq) = 3,3-dimethyl-2-oxobutanoate(aq) + L-glutamate(aq)'),\n", + " (nan,\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C00183 + kegg:C00026 = kegg:C06255 + kegg:C00025',\n", + " 'L-valine(aq) + 2-oxoglutarate(aq) = 2-oxovalerate(aq) + L-glutamate(aq)'),\n", + " ('kegg:C01005 + kegg:C00026 = kegg:C03232 + kegg:C00025',\n", + " 'O-phospho-L-serine(aq) + 2-oxoglutarate(aq) = 3-phosphonooxypyruvate(aq) + L-glutamate(aq)'),\n", + " (nan, 'ATP(aq) + serpeptide(aq) = ADP(aq) + phosphorylated serpeptide(aq)'),\n", + " (nan, 'ATP(aq) + syntide 2(aq) = ADP(aq) + phosphosyntide(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 = kegg:C00074 + kegg:C00008',\n", + " 'ATP(aq) + pyruvate(aq) = phosphoenolpyruvate(aq) + ADP(aq)'),\n", + " ('kegg:C00013 + kegg:C00085 = kegg:C00009 + kegg:C00354',\n", + " 'pyrophosphate(aq) + D-fructose 6-phosphate(aq) = orthophosphate(aq) + D-fructose 1,6-bisphosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C01003 = kegg:C00008 + kegg:C03875',\n", + " 'ATP(aq) + myosin light chain(aq) = ADP(aq) + myosin light chain phosphate(aq)'),\n", + " (nan,\n", + " '2-aminobenzoic acid(aq) + ATP(aq) = 2-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-aminobenzoic acid(aq) + ATP(aq) = 3-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '4-aminobenzoic acid(aq) + ATP(aq) = 4-aminobenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " 'benzoic acid(aq) + ATP(aq) = benzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '2,3-dihydroxybenzoic acid(aq) + ATP(aq) = 2,3-dihydroxybenzoic acid adenylate(aq) + pyrophosphate(aq) '),\n", + " (nan,\n", + " '3-hydroxyanthranilic acid(aq) + ATP(aq) = 3-hydroxyanthranilic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-hydroxybenzoic acid(aq) + ATP(aq) = 3-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '4-hydroxybenzoic acid(aq) + ATP(aq) = 4-hydroxybenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-hydroxy-4-methylbenzoic acid(aq) + ATP(aq) = 3-hydroxy-4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '3-methylbenzoic acid(aq) + ATP(aq) = 3-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " (nan,\n", + " '4-methylbenzoic acid(aq) + ATP(aq) = 4-methylbenzoic acid adenylate(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 = kegg:C00008 + kegg:C05945',\n", + " 'ATP(aq) + L-arginine(aq) = ADP(aq) + Nomega-phospho-L-arginine(aq)'),\n", + " ('kegg:C00002 + kegg:C00059 = kegg:C00013 + kegg:C00224',\n", + " 'ATP(aq) + sulfate(aq) = pyrophosphate(aq) + adenylylsulfate(aq)'),\n", + " (nan,\n", + " 'deoxynucleoside triphosphate(aq) + polyd-A-Tn(aq) = pyrophosphate(aq) + polyd-A-Tn+1(aq)'),\n", + " ('kegg:C00008 + kegg:C00103 = kegg:C00498 + kegg:C00009',\n", + " 'ADP(aq) + D-glucose 1-phosphate(aq) = ADPglucose(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00002 + kegg:C00022 + kegg:C00001 = kegg:C00020 + kegg:C00074 + kegg:C00009',\n", + " 'ATP(aq) + pyruvate(aq) + H2O(l) = AMP(aq) + phosphoenolpyruvate(aq) + orthophosphate(aq)'),\n", + " (nan,\n", + " 'benzyl alcohol(sln) + butyl acetate(sln) = benzyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " 'butyl decanoate(sln) + H2O(sln) = 1-butanol(sln) + 1-decanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2-dioctanoyl glycerol(sln) + H2O(sln) = 2-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) + 2 H2O(sln) = glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,3-dioctanoyl glycerol(sln) + H2O(sln) = 1-mono-octanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " 'dodecyl dodecanoate(sln) + H2O(sln) = 1-dodecanol(sln) + 1-dodecanoic acid(sln)'),\n", + " (nan,\n", + " 'D-glucose(sln) + 1-dodecanoic acid(sln) = 1-dodecanoyl D-glucose ester(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(-)-menthol(sln) + 1-dodecanoic acid(sln) = (-)-menthyl dodecanoate(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(-)-menthol(sln) + dodecyl dodecanoate(sln) = (-)-menthyl dodecanoate(sln) + 1-dodecanol(sln) '),\n", + " (nan,\n", + " '1-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '2-mono-octanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan, 'oleic acid(sln) + 1-butanol(sln) = 1-butyl oleate(sln) + H2O(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-butanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl 1-butyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl ethanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl ethyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '(R)-(+)-1-phenyl-1-propanol(sln) + butyl acetate(sln) = (R)-(+)-1-phenyl-1-propyl acetate(sln) + 1-butanol(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1,2-dioctanoyl glycerol(sln) + n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = glycerol(sln) + 3 n-octanoic acid(sln)'),\n", + " (nan,\n", + " '1,2,3-trioctanoyl glycerol(sln) + H2O(sln) = 1-monooctanoyl glycerol(sln) + 2 n-octanoic acid(sln)'),\n", + " (nan,\n", + " 'cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = cis-2-hydroxycyclopentanemethanol-phosphate(aq)'),\n", + " (nan,\n", + " 'trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq) + H2O(l) = trans-2-hydroxycyclopentanemethanol-phosphate(aq)'),\n", + " (nan,\n", + " '1R,2S-trans-2-hydroxytetrahydrofuranmethanol cyclic phosphate(aq) + H2O(l) = 1R,2S-trans-2-hydroxytetrahydrofuranmethanol-phosphate(aq)'),\n", + " (nan,\n", + " '5-methoxytrimethylene phosphate(aq) + H2O(l) = 2-methoxy-3-hydroxypropyl phosphate(aq)'),\n", + " (nan,\n", + " '5-methyltrimethylene phosphate(aq) + H2O(l) = 2-methyl-3-hydroxypropyl phosphate(aq)'),\n", + " (nan, 'phosphoenolpyruvate(aq) + H2O(l) = pyruvate(aq) + orthophosphate(aq)'),\n", + " (nan, \"adenosine 3':5'-(cyclic)phosphate(aq) + H2O(l) = AMP(aq)\"),\n", + " ('kegg:C00942 + kegg:C00001 = kegg:C00144',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq) + H2O(l) = guanosine 5 '-phosphate(aq)\"),\n", + " ('kegg:C00498 + kegg:C00001 = kegg:C00103 + kegg:C00020',\n", + " 'ADPglucose(aq) + H2O(l) =-D-glucose 1-phosphate(aq) + AMP(aq)'),\n", + " ('kegg:C00294 + kegg:C00001 = kegg:C00262 + kegg:C00121',\n", + " 'inosine(aq) + H2O(l) = hypoxanthine(aq) + D-ribose(aq)'),\n", + " (nan, '4-nitrophenyl acetate(aq) + H2O(l) = 4-nitrophenol(aq) + acetate(aq)'),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Leu(aq) + 4-nitrophenyl analide(aq)'),\n", + " (nan,\n", + " 'succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq) + H2O(l) = succinylAla-Ala-Pro-Phe(aq) + 4-nitrophenylanalide(aq)'),\n", + " (nan, 'L-asparagine(aq) + H2O(l) = L-aspartate(aq) + ammonia(aq)'),\n", + " (nan, 'L-glutamine(aq) + H2O(l) = L-glutamate(aq) + ammonia(aq)'),\n", + " (nan,\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " ('kegg:C06827 + kegg:C00001 = kegg:C02954 + kegg:C03493',\n", + " 'amoxicillin(aq) + H2O(l) = 6-aminopenicillanic acid(aq) + D-(4-hydroxyphenyl)glycine(aq)'),\n", + " (nan,\n", + " 'cefamandole(aq) + H2O(l) = 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq) + D-mandelic acid(aq)'),\n", + " (nan,\n", + " '2-acetamidohept-6-enoic acid(aq) + H2O(l) = acetate(aq) + 2-aminohept-6-enoic acid(aq)'),\n", + " (nan, 'N-acetyl-L-alanine(aq) + H2O(l) = acetate(aq) + L-alanine(aq)'),\n", + " (nan, 'N-acetyl-L-cysteine(aq) + H2O(l) = acetate(aq) + L-cysteine(aq)'),\n", + " (nan, 'N-acetyl-L-norleucine(aq) + H2O(l) = acetate(aq) + L-norleucine(aq)'),\n", + " (nan, 'N-acetyl-L-valine(aq) + H2O(l) = acetate(aq) + L-valine(aq)'),\n", + " ('kegg:C03519 + kegg:C00001 = kegg:C00033 + kegg:C00079',\n", + " 'N-acetyl-L-phenylalanine(aq) + H2O(l) = acetate(aq) + L-phenylalanine(aq)'),\n", + " (nan, 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " ('kegg:C11695 + kegg:C00001 = kegg:C00189 + kegg:C00219',\n", + " 'anandamide(aq) + H2O(l) = ethanolamine(aq) + arachidonic acid(aq)'),\n", + " (nan,\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " ('kegg:C16512 + kegg:C00001 = kegg:C00189 + kegg:C00249',\n", + " 'palmitoylethanolamide(aq) + H2O(l) = ethanolamine(aq) + palmitic acid(aq)'),\n", + " (nan, '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00429 + kegg:C00001 = kegg:C02642',\n", + " '5,6-dihydrouracil(aq) + H2O(l) = 3-ureidopropanoic acid(aq)'),\n", + " ('kegg:C00044 + kegg:C00001 = kegg:C05922',\n", + " 'GTP(aq) + H2O(l) = ((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'),\n", + " ('kegg:C09814 + 2 kegg:C00001 = kegg:C00180 + kegg:C00014',\n", + " 'benzonitrile(aq) + 2 H2O(aq) = benzoic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C16074 + 2 kegg:C00001 = kegg:C07086 + kegg:C00014',\n", + " 'benzyl cyanide(aq) + 2 H2O(aq) = phenylacetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C02938 + 2 kegg:C00001 = kegg:C00954 + kegg:C00014',\n", + " '3-indoleacetonitrile(aq) + 2 H2O(l) = indole-3-acetic acid(aq) + ammonia(aq)'),\n", + " ('kegg:C00081 + kegg:C00001 = kegg:C00130 + kegg:C00013',\n", + " 'ITP(aq) + H2O(l) = IMP(aq) + pyrophosphate(aq)'),\n", + " ('kegg:C01103 = kegg:C00105 + kegg:C00288',\n", + " \"orotidine 5 '-phosphate(aq) = UMP(aq) + carbon dioxide(aq)\"),\n", + " ('kegg:C01182 + kegg:C00288 = 2 kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + carbon dioxide(aq) = 2 3-phospho-D-glycerate(aq)'),\n", + " ('kegg:C01182 + kegg:C00007 = kegg:C00197',\n", + " 'D-ribulose 1,5-bisphosphate(aq) + O2(aq) = 3-phospho-D-glycerate(aq)'),\n", + " (nan,\n", + " 'D-fructose 1,6-bisphosphate(aq) = glycerone phosphate(aq) + D-glyceraldehyde 3-phosphate(aq)'),\n", + " ('kegg:C00074 + kegg:C00279 + kegg:C00001 = kegg:C04691 + kegg:C00009',\n", + " 'phosphoenolpyruvate(aq) + D-erythrose 4-phosphate(aq) + H2O(l) = 2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C00204 = kegg:C00022 + kegg:C00577',\n", + " '2-oxo-3-deoxy-D-gluconate(aq) = pyruvate(aq) + D-glyceraldehyde(aq)'),\n", + " (nan, 'isocitrate(aq) = succinate(aq) + glyoxylate(aq)'),\n", + " ('kegg:C00251 + kegg:C00014 = kegg:C00108 + kegg:C00022 + kegg:C00001',\n", + " 'chorismate(aq) + ammonia(aq) = anthranilate(aq) + pyruvate(aq) + H2O(l)'),\n", + " ('kegg:C01144 = kegg:C00877 + kegg:C00001',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq) = trans-but-2-enoyl-coenzyme A + H2O(l)'),\n", + " ('kegg:C00318 = kegg:C04114 + kegg:C00001',\n", + " 'L-carnitine(aq) = 4-(trimethylammonio)but-2-enoate(aq) + H2O(l)'),\n", + " (nan,\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " ('kegg:C04691 = kegg:C00944 + kegg:C00009',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq) = 3-dehydroquinate(aq) + orthophosphate(aq)'),\n", + " (nan, 'L-alanine(aq) = D-alanine(aq)'),\n", + " ('kegg:C00043 = kegg:C00203',\n", + " 'UDP-N-acetyl-D-glucosamine(aq) = UDP-N-acetyl-D-galactosamine(aq)'),\n", + " ('kegg:C00216 = kegg:C00121', 'D-arabinose(aq) = D-ribose(aq)'),\n", + " ('kegg:C01796 = kegg:C06463', 'D-erythrose(aq) = D-threose(aq)'),\n", + " ('kegg:C00031 = kegg:C00159', 'D-glucose(aq) = D-mannose(aq)'),\n", + " ('kegg:C05439 = kegg:C05437',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq) = (3,5)-cholesta-8,24-diene-3-ol(aq)'),\n", + " ('kegg:C00074 = kegg:C02798',\n", + " 'phosphoenolpyruvate(aq) = 3-phosphonopyruvate(aq)'),\n", + " ('kegg:C00002 + kegg:C00082 + kegg:C00787 = kegg:C00020 + kegg:C00013 + kegg:C02839',\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + L-tyrosine(aq) + tRNA-Tyr(aq) = AMP(aq) + pyrophosphate(aq) + L-tyrosyl-tRNA-Tyr(aq)'),\n", + " ('kegg:C00002 + kegg:C00188 + kegg:C01651 = kegg:C00020 + kegg:C00013 + kegg:C02992',\n", + " 'ATP(aq) + L-threonine(aq) + tRNA-Thr(aq) = AMP(aq) + pyrophosphate(aq) + L-threonyl-tRNA-Thr(aq)'),\n", + " ('kegg:C00002 + kegg:C00407 + kegg:C01644 = kegg:C00020 + kegg:C00013 + kegg:C03127',\n", + " 'ATP(aq) + L-isoleusine(aq) + tRNA-Ile(aq) = AMP(aq) + pyrophosphate(aq) + L-isoleucyl-tRNA-Ile(aq)'),\n", + " ('kegg:C00002 + kegg:C00047 + kegg:C01646 = kegg:C00020 + kegg:C00013 + kegg:C01931',\n", + " 'ATP(aq) + L-lysine(aq) + tRNA-Lys(aq) = AMP(aq) + pyrophosphate(aq) + L-lysyl-tRNA-Lys(aq)'),\n", + " ('kegg:C00002 + kegg:C00065 + kegg:C01650 = kegg:C00020 + kegg:C00013 + kegg:C02553',\n", + " 'ATP(aq) + L-serine(aq) + tRNA-Ser(aq) = AMP(aq) + pyrophosphate(aq) + L-seryl-tRNA-Ser(aq)'),\n", + " ('kegg:C00002 + kegg:C00062 + kegg:C01636 = kegg:C00020 + kegg:C00013 + kegg:C02163',\n", + " 'ATP(aq) + L-arginine(aq) + tRNA-Arg(aq) = AMP(aq) + pyrophosphate(aq) + L-arginyl-tRNA-Arg(aq)'),\n", + " ('kegg:C00002 + kegg:C00079 + kegg:C01648 = kegg:C00020 + kegg:C00013 + kegg:C03511',\n", + " 'ATP(aq) + L-phenylalanine(aq) + tRNA-Phe(aq) = AMP(aq) + pyrophosphate(aq) + L-phenylalanyl-tRNA-Phe(aq)'),\n", + " ('kegg:C00002 + kegg:C00135 + kegg:C01643 = kegg:C00020 + kegg:C00013 + kegg:C02988',\n", + " 'ATP(aq) + L-histidine(aq) + tRNA-His(aq) = AMP(aq) + pyrophosphate(aq) + L-histidyl-tRNA-His(aq)'),\n", + " (nan,\n", + " 'ATP(aq) + (deoxyribonucleotide)_n(aq) + (deoxyribonucleotide)_m(aq) = AMP(aq) + pyrophosphate(aq) + (deoxyribonucleotide)_m+n(aq)'),\n", + " ('kegg:C00037 + kegg:C00003 + kegg:C00101 = kegg:C00143 + kegg:C00004 + kegg:C00014 + kegg:C00288 ',\n", + " 'glycine(aq) + NAD+(aq) + THF(aq) = 5,10-CH2-THF(aq) + NADH(aq) + NH3(aq) + CO2(aq)'),\n", + " ('kegg:C00101 + kegg:C00067 = kegg:C00143',\n", + " 'THF(aq) + formaldehyde(aq) = 5,10-CH2-THF(aq)'),\n", + " ('kegg:C03373 + kegg:C00288 = kegg:C04751 + kegg:C00001',\n", + " 'Aminoimidazole ribotide + CO2 = 1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'),\n", + " ('kegg:C00234 + kegg:C04677 = kegg:C00101 + kegg:C04734',\n", + " \"10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide = Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"),\n", + " ('kegg:C00199 + kegg:C00067 = kegg:C06019',\n", + " 'D-Ribulose 5-phosphate + Formaldehyde = D-arabino-Hex-3-ulose 6-phosphate'),\n", + " ('kegg:C06019 = kegg:C00085',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate = D-Fructose 6-phosphate'),\n", + " ('kegg:C00689 + kegg:C00009 = kegg:C00103 + kegg:C00092',\n", + " ',-trehalose 6-phosphate(aq) + orthophosphate(aq) =-D-glucose 1-phosphate(aq) + D-glucose 6-phosphate(aq)')]" + ] + }, + "execution_count": 96, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "newrxn # should be rewritten to the excel later" + ] + }, + { + "cell_type": "markdown", + "id": "97204050", + "metadata": {}, + "source": [ + "## Finally getting all compounds" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "id": "79c1d883", + "metadata": {}, + "outputs": [], + "source": [ + "compounds = []\n", + "cpid = {}\n", + "for r, t in newrxn:\n", + " if pandas.isna(t) and pandas.isna(r):\n", + " assert(False)\n", + " if pandas.isna(t) and not pandas.isna(r):\n", + " assert(False)\n", + " # text reaction\n", + " reacprod = t.split(\"=\")\n", + " assert(len(reacprod) == 2)\n", + " reac, prod = reacprod[0].strip(), reacprod[1].strip()\n", + " reacs = reac.split(' + ')\n", + " prods = prod.split(' + ')\n", + " # kegg reaction\n", + " krxn = None\n", + " if not pandas.isna(r):\n", + " kegg = r.split(\"=\")\n", + " assert(len(kegg) == 2)\n", + " kreac, kprod = kegg[0].strip(), kegg[1].strip()\n", + " krxn = [kreac.split(' + '), kprod.split(' + ')]\n", + " for i, ls in enumerate([reacs, prods]):\n", + " for j, rxt in enumerate(ls):\n", + " spl = rxt.split()\n", + " # extract stoichiometry\n", + " try: \n", + " float(spl[0])\n", + " rxt = \" \".join(spl[1:])\n", + " except ValueError:\n", + " rxt = rxt\n", + " compounds.append(rxt)\n", + " if krxn is not None:\n", + " cpid[rxt] = krxn[i][j]" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "id": "afab0cb0", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "['benzyl alcohol(aq)',\n", + " 'NAD(aq)',\n", + " 'benzaldehyde(aq)',\n", + " 'NADH(aq)',\n", + " '1-butanol(aq)',\n", + " 'NAD(aq)',\n", + " 'butanal(aq)',\n", + " 'NADH(aq)',\n", + " 'cyclohexanol(aq)',\n", + " 'NAD(aq)',\n", + " 'cyclohexanone(aq)',\n", + " 'NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ethanol(aq)',\n", + " 'desamino NAD(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'desamino NADH(aq)',\n", + " '1-hexanol',\n", + " 'NAD',\n", + " 'hexanal',\n", + " 'NADH',\n", + " 'cis-3-hexene-1-ol(aq)',\n", + " 'NAD(aq)',\n", + " 'cis-3-hexenal(aq)',\n", + " 'NADH(aq)',\n", + " 'trans-2-hexen-1-ol',\n", + " 'NAD',\n", + " 'trans-2-hexenal',\n", + " 'NADH',\n", + " '1-nonanol',\n", + " 'NAD',\n", + " 'nonanal',\n", + " 'NADH',\n", + " '1-octanol(aq)',\n", + " 'NAD(aq)',\n", + " 'octanal(aq)',\n", + " 'NADH(aq)',\n", + " '1-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'propanal(aq)',\n", + " 'NADH(aq)',\n", + " '2-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetone(aq)',\n", + " 'NADH(aq)',\n", + " '2-propanol(aq)',\n", + " 'NAD(aq)',\n", + " 'acetone(aq)',\n", + " 'NADH(aq)',\n", + " 'vitamin A alcohol(aq)',\n", + " 'NAD(aq)',\n", + " 'vitamin A aldehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'L-homoserine(aq)',\n", + " 'NAD(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADH(aq)',\n", + " 'L-homoserine(aq)',\n", + " 'NADP(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(R,R)-2,3-butanediol(aq)',\n", + " 'NAD(aq)',\n", + " '(R)-acetoin(aq)',\n", + " 'NADH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone(aq)',\n", + " 'NADH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone(aq)',\n", + " 'NADH(aq)',\n", + " 'sn-glycerol 3-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'sn-glycerol 3-phosphate',\n", + " 'NAD(aq)',\n", + " 'dihydroxyacetone phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'allitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-psicose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glycero-D-glucoheptitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-sedoheptulose(aq)',\n", + " 'NADH(aq)',\n", + " 'L-iditol(aq)',\n", + " 'NAD(aq)',\n", + " 'L-sorbose(aq)',\n", + " 'NADH(aq)',\n", + " 'ribitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-ribulose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADH(aq)',\n", + " 'L-threitol(aq)',\n", + " 'NAD(aq)',\n", + " 'L-erythrulose(aq)',\n", + " 'NADH(aq)',\n", + " 'xylitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-xylulose(aq)',\n", + " 'NADH(aq)',\n", + " 'xylitol(aq)',\n", + " 'NADP(aq)',\n", + " 'L-xylulose(aq)',\n", + " 'NADPH(aq)',\n", + " 'galactitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-tagatose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-mannitol(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADH(aq)',\n", + " 'D-mannitol 1-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'myo-inositol',\n", + " 'NAD',\n", + " '2-oxo-myo-inositol',\n", + " 'NADH',\n", + " 'xylitol(aq)',\n", + " 'NADP(aq)',\n", + " 'D-xylose(aq)',\n", + " 'NADPH(aq)',\n", + " 'quinate(aq)',\n", + " 'NAD(aq)',\n", + " '5-dehydroquinate(aq)',\n", + " 'NADH(aq)',\n", + " 'shikimate(aq)',\n", + " 'NADP(aq)',\n", + " '3-dehydroshikimate(aq)',\n", + " 'NADPH(aq)',\n", + " '(R)-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " 'hydroxypyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'glycolate(aq)',\n", + " 'NAD(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'NADH(aq)',\n", + " 'glycolate',\n", + " 'NAD',\n", + " '...',\n", + " '2-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " '2,4-dihydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '...',\n", + " '(S)-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-lactate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'AP-NADH(aq)',\n", + " '(R)-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '(R)-3-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " '3-hydroxy-2-methylpropanoate(aq)',\n", + " 'NAD(aq)',\n", + " '2-methyl-3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxobutanoyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxohexanoyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'oxaloacetate(aq)',\n", + " 'NADH(aq)',\n", + " 'meso-tartrate(aq)',\n", + " 'NAD(aq)',\n", + " '(E)-dihydroxyfumarate(aq)',\n", + " 'NADH(aq)',\n", + " 'meso-tartrate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxo-3-hydroxysuccinate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-glutamate(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'L-aspartate(aq)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'citrate(aq)',\n", + " 'CoA(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '(S)-malate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " 'isocitrate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " 'isocitrate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '6-phospho-D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'D-ribulose 5-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'carbon dioxide(aq)',\n", + " '-D-glucose(aq)',\n", + " 'NAD(aq)',\n", + " 'D-glucono-1,5-lactone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-galactose(aq)',\n", + " 'NAD(aq)',\n", + " 'D-galactono-1,4-lactone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucono-1,5-lactone 6-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '6-phospho-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " '5α-androstane-3α-ol-17-one(aq)',\n", + " 'NAD(aq)',\n", + " '5α-androstane-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-androstane-3α,17β-diol(aq)',\n", + " 'NAD(aq)',\n", + " '5α-androstane-17β-ol-3-one(aq)',\n", + " 'NADH(aq)',\n", + " '5α-androstane-3α-ol-17-one(aq)',\n", + " 'TNAD(aq)',\n", + " '5α-androstane-3,17-dione(aq)',\n", + " 'TNADH(aq)',\n", + " '5β-androstane-3α-ol-17-one(aq)',\n", + " 'NAD(aq)',\n", + " '5β-androstane-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'NAD(aq)',\n", + " '5α-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5β-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'NAD(aq)',\n", + " '5β-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5β-pregnane-3α,17α,21-triol-11,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '5β-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'NADH(aq)',\n", + " '5alpha-androstane-3beta,17alpha-diol(aq)',\n", + " 'NAD(aq)',\n", + " '5alpha-androstane-17alpha-ol-3-one(aq)',\n", + " 'NADH(aq)',\n", + " '4-androstene-17-ol-3-one(aq)',\n", + " 'NAD(aq)',\n", + " '4-androstene-3,17-dione(aq)',\n", + " 'NADH(aq)',\n", + " '5α-pregnane-3β,17α,21-triol-11,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '5α-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'NADH(aq)',\n", + " '1,2-propanediol(aq)',\n", + " 'NADP(aq)',\n", + " 'L-lactaldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '3-hydroxypropanoate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '(R)-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " '2-hydroxy-3-oxopropanoate(aq)',\n", + " 'NADH(aq)',\n", + " '4-hydroxybutanoate(aq)',\n", + " 'NAD(aq)',\n", + " '4-oxobutanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'estradiol-17(aq)',\n", + " 'NAD(aq)',\n", + " 'estrone(aq)',\n", + " 'NADH(aq)',\n", + " 'D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " '5-oxo-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " 'glycerol(aq)',\n", + " 'NADP(aq)',\n", + " '(R)-glyceraldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " 'glycolate(aq)',\n", + " 'NADP(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '3-phospho-D-glycerate(aq)',\n", + " 'NAD(aq)',\n", + " '3-phosphohydroxypyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)',\n", + " 'NAD(aq)',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '3-hydroxybenzyl alcohol(aq)',\n", + " 'NADP(aq)',\n", + " '3-hydroxybenzaldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)',\n", + " 'NADP(aq)',\n", + " '3-oxobutanoyl-[acyl-carrier protein](aq)',\n", + " 'NADPH(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'NAD(aq)',\n", + " '3-dehydrocarnitine(aq)',\n", + " 'NADH(aq)',\n", + " 'indole-3-lactate(aq)',\n", + " 'NAD(aq)',\n", + " 'indole-3-pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glucose(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucono-1,5-lactone(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-fructose(aq)',\n", + " 'NADP(aq)',\n", + " '5-dehydro-D-fructose(aq)',\n", + " 'NADPH(aq)',\n", + " '2-deoxy-D-gluconate(aq)',\n", + " 'NAD(aq)',\n", + " '2-deoxy-3-dehydro-D-gluconate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-threonate(aq)',\n", + " 'NAD(aq)',\n", + " '3-oxo-L-threonate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol 6-phosphate(aq)',\n", + " 'NAD(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'prostaglandin E1(aq)',\n", + " 'NAD(aq)',\n", + " '15-oxo-prostaglandin E1(aq)',\n", + " 'NADH(aq)',\n", + " '4-pregnene-11β,17α,21-triol-3,20-dione(aq)',\n", + " 'NAD(aq)',\n", + " '4-pregnene-11β,17α-diol-3,20,21-trione( aq)',\n", + " 'NADH(aq)',\n", + " '7,8-dihydrobiopterin(aq)',\n", + " 'NADP(aq)',\n", + " 'sepiapterin(aq)',\n", + " 'NADPH(aq)',\n", + " 'coniferyl alcohol(aq)',\n", + " 'NADP(aq)',\n", + " 'coniferyl aldehyde(aq)',\n", + " 'NADPH(aq)',\n", + " '(R)-2-hydroxyglutarate(aq)',\n", + " 'NAD(aq)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-sorbitol 6-phosphate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-glucose 6-phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-gluconate(aq)',\n", + " 'NADP(aq)',\n", + " '2-oxo-D-gluconate(aq)',\n", + " 'NADPH(aq)',\n", + " '(S)-lactate(aq)',\n", + " 'oxaloacetate(aq)',\n", + " '(S)-malate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'lactose(aq)',\n", + " 'cytochrome c(aq)',\n", + " '3-oxolactose(aq)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'formate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'carbon dioxide(aq)',\n", + " 'NADH(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'CoA(aq)',\n", + " 'NAD(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'NADH(aq)',\n", + " 'L-aspartate 4-semialdehyde(aq)',\n", + " 'NADP(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-4-aspartyl phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)',\n", + " 'NADP(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-4-aspartyl phosphate(aq)',\n", + " 'NADPH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(aminomethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-animomethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(chloroethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-chloroethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(chloromethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-chloromethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(ethyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-ethyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(methoxy)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-methoxy)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " '(methyl)phosphoate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl-methyl)phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'NAD(aq)',\n", + " '3-phospho-D-glyceroyl phosphate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'phosphonate(aq)',\n", + " 'NAD(aq)',\n", + " '(3-phospho-D-glyceroyl)phosphonate(aq)',\n", + " 'NADH(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'ADP(aq)',\n", + " 'NAD(aq)',\n", + " 'orthophosphate(aq)',\n", + " '3-phospho-D-glycerate(aq)',\n", + " 'ATP(aq)',\n", + " 'NADH(aq)',\n", + " 'glyoxylate(aq)',\n", + " 'CoA(aq)',\n", + " 'NADP(aq)',\n", + " 'oxalyl-CoA(aq)',\n", + " 'NADPH(aq)',\n", + " 'formate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " 'carbon dioxide(aq)',\n", + " 'NADPH(aq)',\n", + " 'succinate(aq)',\n", + " 'O2(aq)',\n", + " 'fumarate(aq)',\n", + " 'H2O(l)',\n", + " '(S)-dihydroorotate(aq)',\n", + " 'NAD(aq)',\n", + " 'orotate(aq)',\n", + " 'NADH(aq)',\n", + " '(S)-dihydroorotate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'orotate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'L-alanine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'AP-NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'AP-NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'desamino NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'desamino NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'NADP(aq)',\n", + " 'H2O(l)',\n", + " '2-oxoglutarate(aq)',\n", + " 'NADPH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-leucine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '4-methyl-2-oxopentanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'glycine(ag)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'glyoxylate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " 'L-erythro-3,5-diaminohexanoate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '(S)-5-amino-3-oxohexanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " '2,4-diaminopentanoate(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '2-amino-4-oxopentanoate(aq)',\n", + " 'NADH(aq)',\n", + " 'ammonia(aq)',\n", + " '(S)-proline(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-pyrroline-2-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '(S)-proline(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-pyrroline-5-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " '7,8-dihydrofolate(aq)',\n", + " 'folate(aq)',\n", + " '5,6,7,8-tetrahydrofolate(aq)',\n", + " '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'NADP(aq)',\n", + " '7,8-dihydrofolate(aq)',\n", + " 'NADPH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'NADP(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'NADPH(aq)',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'L-arginine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'AP-NAD(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'AP-NADH(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'NAD(aq)',\n", + " '5,10-methenyltetrahydrofolate(aq)',\n", + " 'NADH(aq)',\n", + " \"2,2'-iminodipropanoate(aq)\",\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " 'L-alanine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " '2-methyliminodiacetatc(aq)',\n", + " 'NAD(aq)',\n", + " 'H20(l)',\n", + " 'glycine(aq)',\n", + " 'pyruvate(aq)',\n", + " 'NADH(aq)',\n", + " 'L-pipecolate(aq)',\n", + " 'NADP(aq)',\n", + " 'D-1-piperidine-2-carboxylate(aq)',\n", + " 'NADPH(aq)',\n", + " 'NAD(aq)',\n", + " 'NADPH(aq)',\n", + " 'NADH(aq)',\n", + " 'NADP(aq)',\n", + " 'reduced glutathione(aq)',\n", + " 'NADP(aq)',\n", + " 'oxidized glutathione(aq)',\n", + " 'NADPH(aq)',\n", + " 'reduced thioredoxin(aq)',\n", + " 'NADP(aq)',\n", + " 'oxidized thioredoxin(aq)',\n", + " 'NADPH(aq)',\n", + " 'NADH(aq)',\n", + " 'O2(aq)',\n", + " 'NAD(aq)',\n", + " 'H2O(l)',\n", + " '5-methyltetrahydrofolate(aq)',\n", + " 'flavin-adenine dinucleotide(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'reduced flavin-adenine dinucleotide(aq)',\n", + " 'dihydrolipoamide(aq)',\n", + " 'NAD(aq)',\n", + " 'lipoamide(aq)',\n", + " 'NADH(aq)',\n", + " 'dihydro--lipoate(aq)',\n", + " 'NAD(aq)',\n", + " '-lipoate(aq)',\n", + " 'NADH(aq)',\n", + " 'CoA(aq)',\n", + " 'oxidized glutathione(aq)',\n", + " 'CoA-glutathione(aq)',\n", + " 'reduced glutathione(aq)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'O2(aq)',\n", + " 'cytochrome c(aq)',\n", + " 'H2O(l)',\n", + " 'reduced cytochrome c(aq)',\n", + " 'O2(aq)',\n", + " 'cytochrome c(aq)',\n", + " 'H2O(l)',\n", + " 'H2(aq)',\n", + " 'NAD(aq)',\n", + " 'NADH(aq)',\n", + " 'betaine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'N,N-dimethylglycine(aq)',\n", + " 'L-methionine(aq)',\n", + " 'dimethylacetothetin(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-methylthioglycolate(aq)',\n", + " 'L-methionine(aq)',\n", + " 'dimethylpropiothetin(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-methyltpropiothetin(aq)',\n", + " 'L-methionine(aq)',\n", + " 'S-methylmethionine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'L-methionine(aq)',\n", + " 'trimethylsulfonium(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'dimethylsulfide(aq)',\n", + " 'L-methionine(aq)',\n", + " 'S-adenosyl-L-methionine(aq)',\n", + " 'L-homocysteine(aq)',\n", + " 'S-adenosyl-L-homocysteine(aq)',\n", + " 'L-methionine(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'dUMP(aq)',\n", + " 'dihydrofolate(aq)',\n", + " 'dTMP(aq)',\n", + " 'glycine(aq)',\n", + " 'acetaldehyde(aq)',\n", + " 'L-threonine(aq)',\n", + " 'glycine(aq)',\n", + " 'formaldehyde(aq)',\n", + " 'L-serine(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'glycine(aq)',\n", + " 'H2O(l)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'L-serine(aq)',\n", + " '5-formiminotetrahydrofolate(aq)',\n", + " 'glycine(aq)',\n", + " 'N-formiminoglycine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5-formiminotetrahydrofolate(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'N-formimino-L-glutamate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '2-hydroxymethylserine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'D-serine(aq)',\n", + " 'H2O(1)',\n", + " '2-hydroxymethylserine(aq)',\n", + " 'D-serine(aq)',\n", + " 'formaldehyde(aq)',\n", + " '2-methylserine(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " '5,10-methylenetetrahydrofolate(aq)',\n", + " 'D-alanine(aq)',\n", + " 'H2O(l)',\n", + " '2-methylserine(aq)',\n", + " 'D-alanine(aq)',\n", + " 'formaldehyde(aq)',\n", + " 'oxaloacetate(aq)',\n", + " 'propanoyl-CoA(aq)',\n", + " 'pyruvate(aq)',\n", + " 'methylmalonyl-CoA(aq)',\n", + " 'carbamoyl phosphate(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'L-citrulline(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'L-arginine(aq)',\n", + " 'glycine(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'guanidinoacetate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phospahte(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'glycolaldehyde(aq)',\n", + " 'L-erythrulose(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'sedoheptulose 7-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-ribose 5-phosphate(aq)',\n", + " 'D-xylulose 5-phosphate(aq)',\n", + " 'D-fructose(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'D-glyceraldehyde(aq)',\n", + " 'sedoheptulose 7-phosphate(aq)',\n", + " 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-erythrose 4-phosphate(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'imidazole(aq)',\n", + " 'N-acetylimidazole(aq)',\n", + " 'orthophosphate(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'acetanilide(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'aniline(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-acetylacetanalide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-aminoacetophenone(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-chloroacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-chloroaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-cyanoacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-cyanoaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'ethyl 4-acetamidobenzoate(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'ethyl 4-aminobenzoate(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methoxyacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methoxyaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-methylacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'p-toluidine(aq)',\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-nitroacetanilide(aq)\",\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " \"4'-nitroaniline(aq)\",\n", + " \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'α,α,α-trifluoro-m-acetanilide(aq)',\n", + " \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'α,α,α-trifluoro-m-toluidine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'choline(aq)',\n", + " 'CoA(aq)',\n", + " 'O-acetylcholine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-acetylcarnitine(aq)',\n", + " 'butyryl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-butyrylcarnitine(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-propionylcarnitine(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'CoA(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'imidazole(aq)',\n", + " 'N-acetylimidazole(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'formyl-CoA(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'CoA(aq)',\n", + " 'formyl phosphate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'formate(aq)',\n", + " 'CoA(aq)',\n", + " 'acetate(aq)',\n", + " 'ATP(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'ADP(aq)',\n", + " 'orthophospate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'CoA(aq)',\n", + " 'acetoacetyl-CoA(aq)',\n", + " 'palmitoyl-CoA(aq)',\n", + " 'L-carnitine(aq)',\n", + " 'CoA(aq)',\n", + " 'L-palmitoylcarnitine(aq)',\n", + " 'N-2-acetyl-L-ornithine(aq)',\n", + " 'L-glutamate(aq)',\n", + " 'L-ornithine(aq)',\n", + " 'N-acetyl-L-glutamate(aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'acyl-carrier protein(aq)',\n", + " 'CoA(aq)',\n", + " 'acetyl-[acyl-carrier protein](aq)',\n", + " 'malonyl-CoA(aq)',\n", + " 'acyl-carrier protein(aq)',\n", + " 'CoA(aq)',\n", + " 'malonyl-[acyl-carrier protein](aq)',\n", + " 'acetyl-CoA(aq)',\n", + " 'formate(aq)',\n", + " 'CoA(aq)',\n", + " 'pyruvate(aq)',\n", + " 'pyruvate(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'acetyl phosphate(aq)',\n", + " 'formate(aq)',\n", + " 'sucrose(aq)',\n", + " 'orthophosphate(aq)',\n", + " '-D-glucose 1-phosphate(aq)',\n", + " 'D-fructose(aq)',\n", + " 'maltose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'sucrose(aq)',\n", + " '(2,6-beta-D-fructosyl)n(aq)',\n", + " 'D-glucose(aq)',\n", + " '(2,6-beta-D-fructosyl)n+1(aq)',\n", + " 'ADPglucose(aq)',\n", + " 'D-fructose(aq)',\n", + " 'ADP(aq)',\n", + " 'sucrose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'D-fructose(aq)',\n", + " 'UDP(aq)',\n", + " 'sucrose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'D-fructose 6-phosphate(aq)',\n", + " 'UDP(aq)',\n", + " 'sucrose 6-phosphate(aq)',\n", + " 'UDP-glucose',\n", + " 'D-glucose 6-phosphate',\n", + " 'UDP',\n", + " \"alpha,alpha'-trehalose 6-phosphate\",\n", + " 'cycloheptaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cyclohexaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cyclooctaamylose(aq)',\n", + " 'H2O(l)',\n", + " 'D-glucose(aq)',\n", + " 'cellobiose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'cellotriose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'cellobiose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'laminaribiose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " 'laminaritetraose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'laminaritriose(aq)',\n", + " 'alpha-D-glucose 1-phosphate(aq)',\n", + " 'laminaritriose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'laminaribiose(aq)',\n", + " 'alpha-D-glucose 1-phosphate(aq)',\n", + " ',-trehalose(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'D-glucose(aq)',\n", + " 'D-glucose 1-phosphate(aq)',\n", + " '1--D-galactosyl-myo-inositol(aq)',\n", + " 'raffinose(aq)',\n", + " 'myo-inositol(aq)',\n", + " 'stachyose(aq)',\n", + " 'UDPglucose(aq)',\n", + " 'sinapate(aq)',\n", + " 'UDP(aq)',\n", + " '1-sinapoyl-D-glucose(aq)',\n", + " 'adenosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'adenine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " \"2'-deoxyinosine(aq)\",\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '2-deoxy--D-ribose 1-phosphate(aq)',\n", + " 'guanosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'guanine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'alpha-D-ribose 1-phosphate(aq)',\n", + " 'nicotinamide(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'nicotinamide riboside(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'xanthosine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'xanthine(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'inosine(aq)',\n", + " 'thymine(aq)',\n", + " '5-methyluridine(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '5-methyluridine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'thymine(aq)',\n", + " 'alpha-D-ribose-1-phosphate',\n", + " 'uridine(aq)',\n", + " 'orthophosphate(aq)',\n", + " 'uracil(aq)',\n", + " 'D-ribose 1-phosphate(aq)',\n", + " 'thymidine(aq)',\n", + " 'adenine(aq)',\n", + " \"2'-deoxyadenosine(aq)\",\n", + " 'thymine(aq)',\n", + " \"2'-deoxyinosine(aq)\",\n", + " 'adenine(aq)',\n", + " \"2'-deoxyadenosine(aq)\",\n", + " 'hypoxanthine(aq)',\n", + " 'adenine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'AMP(aq)',\n", + " 'pyrophosphate(aq)',\n", + " '5-amino-4-imidazolecarboxamide(aq)',\n", + " '5-phospho-alpha-D-ribose 1-dipihosphate(aq)',\n", + " \"5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq)\",\n", + " 'pyrophosphate(aq)',\n", + " 'GMP(aq)',\n", + " 'hypoxanthine(aq)',\n", + " 'IMP(aq)',\n", + " 'guanine(aq)',\n", + " 'guanine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'GMP(aq)',\n", + " 'pyrophosphate(aq)',\n", + " 'hypoxanthine(aq)',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'IMP(aq)',\n", + " 'pyrophosphate(aq)',\n", + " \"orotidine 5'-phosphate(aq)\",\n", + " ...]" + ] + }, + "execution_count": 22, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "compounds" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "id": "692a44a9", + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "{'benzyl alcohol(aq)': 'kegg:C00556',\n", + " 'NAD(aq)': 'kegg:C00003',\n", + " 'benzaldehyde(aq)': 'kegg:C00261',\n", + " 'NADH(aq)': 'kegg:C00004',\n", + " '1-butanol(aq)': 'kegg:C06142',\n", + " 'butanal(aq)': 'kegg:C01412',\n", + " 'cyclohexanol(aq)': 'kegg:C00854',\n", + " 'cyclohexanone(aq)': 'kegg:C00414',\n", + " 'ethanol(aq)': 'kegg:C00469',\n", + " 'acetaldehyde(aq)': 'kegg:C00084',\n", + " 'AP-NAD(aq)': 'COCO:COCOM00012',\n", + " 'AP-NADH(aq)': 'COCO:COCOM00013',\n", + " 'cis-3-hexene-1-ol(aq)': 'kegg:C08492',\n", + " 'cis-3-hexenal(aq)': 'kegg:C16310',\n", + " '1-octanol(aq)': 'kegg:C00756',\n", + " 'octanal(aq)': 'kegg:C01545',\n", + " '1-propanol(aq)': 'kegg:C05979',\n", + " 'propanal(aq)': 'kegg:C00479',\n", + " '2-propanol(aq)': 'kegg:C01845',\n", + " 'acetone(aq)': 'kegg:C00207',\n", + " 'vitamin A alcohol(aq)': 'kegg:C00473',\n", + " 'vitamin A aldehyde(aq)': 'kegg:C00376',\n", + " 'L-homoserine(aq)': 'kegg:C00263',\n", + " 'L-aspartate 4-semialdehyde(aq)': 'kegg:C00441',\n", + " 'NADP(aq)': 'kegg:C00006',\n", + " 'NADPH(aq)': 'kegg:C00005',\n", + " '(R,R)-2,3-butanediol(aq)': 'kegg:C03044',\n", + " '(R)-acetoin(aq)': 'kegg:C00810',\n", + " 'glycerol(aq)': 'kegg:C00116',\n", + " 'dihydroxyacetone(aq)': 'kegg:C00184',\n", + " 'sn-glycerol 3-phosphate(aq)': 'kegg:C00093',\n", + " 'dihydroxyacetone phosphate(aq)': 'kegg:C00111',\n", + " 'sn-glycerol 3-phosphate': 'kegg:C00093',\n", + " 'L-iditol(aq)': 'kegg:C01507',\n", + " 'L-sorbose(aq)': 'kegg:C00247',\n", + " 'ribitol(aq)': 'kegg:C00474',\n", + " 'D-ribulose(aq)': 'kegg:C00309',\n", + " 'D-sorbitol(aq)': 'kegg:C00794',\n", + " 'D-fructose(aq)': 'kegg:C00095',\n", + " 'xylitol(aq)': 'kegg:C00379',\n", + " 'D-xylulose(aq)': 'kegg:C00310',\n", + " 'L-xylulose(aq)': 'kegg:C00312',\n", + " 'galactitol(aq)': 'kegg:C01697',\n", + " 'D-tagatose(aq)': 'kegg:C00795',\n", + " 'D-mannitol(aq)': 'kegg:C00392',\n", + " 'D-mannitol 1-phosphate(aq)': 'kegg:C00644',\n", + " 'D-fructose 6-phosphate(aq)': 'kegg:C00085',\n", + " 'D-xylose(aq)': 'kegg:C00181',\n", + " 'quinate(aq)': 'kegg:C00296',\n", + " '5-dehydroquinate(aq)': 'kegg:C00944',\n", + " 'shikimate(aq)': 'kegg:C00493',\n", + " '3-dehydroshikimate(aq)': 'kegg:C02637',\n", + " '(R)-glycerate(aq)': 'kegg:C00258',\n", + " 'hydroxypyruvate(aq)': 'kegg:C00168',\n", + " 'glycolate(aq)': 'kegg:C00160',\n", + " 'glyoxylate(aq)': 'kegg:C00048',\n", + " '2-hydroxybutanoate(aq)': 'kegg:C05984',\n", + " '2-oxobutanoate(aq)': 'kegg:C00109',\n", + " '(S)-lactate(aq)': 'kegg:C00186',\n", + " 'pyruvate(aq)': 'kegg:C00022',\n", + " '(R)-lactate(aq)': 'kegg:C00256',\n", + " '(R)-3-hydroxybutanoate(aq)': 'kegg:C01089',\n", + " '3-oxobutanoate(aq)': 'kegg:C00164',\n", + " '3-hydroxy-2-methylpropanoate(aq)': 'kegg:C01188',\n", + " '2-methyl-3-oxopropanoate(aq)': 'kegg:C00349',\n", + " '(S)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " '3-oxobutanoyl-CoA(aq)': 'kegg:C00332',\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq)': 'kegg:C05268',\n", + " '3-oxohexanoyl-CoA(aq)': 'kegg:C05269',\n", + " '(S)-malate(aq)': 'kegg:C00149',\n", + " 'oxaloacetate(aq)': 'kegg:C00036',\n", + " 'meso-tartrate(aq)': 'kegg:C00552',\n", + " '(E)-dihydroxyfumarate(aq)': 'kegg:C00975',\n", + " '2-oxo-3-hydroxysuccinate(aq)': 'kegg:C03459',\n", + " 'L-glutamate(aq)': 'kegg:C00025',\n", + " 'L-aspartate(aq)': 'kegg:C00049',\n", + " '2-oxoglutarate(aq)': 'kegg:C00026',\n", + " 'acetyl-CoA(aq)': 'kegg:C00024',\n", + " 'H2O(l)': 'kegg:C00001',\n", + " 'citrate(aq)': 'kegg:C00158',\n", + " 'CoA(aq)': 'kegg:C00010',\n", + " 'carbon dioxide(aq)': 'kegg:C00288',\n", + " 'isocitrate(aq)': 'kegg:C00311',\n", + " '6-phospho-D-gluconate(aq)': 'kegg:C00345',\n", + " 'D-ribulose 5-phosphate(aq)': 'kegg:C00199',\n", + " '-D-glucose(aq)': 'kegg:C00031',\n", + " 'D-glucono-1,5-lactone(aq)': 'kegg:C00198',\n", + " 'D-galactose(aq)': 'kegg:C00124',\n", + " 'D-galactono-1,4-lactone(aq)': 'kegg:C03383',\n", + " 'D-glucose 6-phosphate(aq)': 'kegg:C00092',\n", + " 'D-glucono-1,5-lactone 6-phosphate(aq)': 'kegg:C01236',\n", + " '4-androstene-17-ol-3-one(aq)': 'kegg:C00535',\n", + " '4-androstene-3,17-dione(aq)': 'kegg:C00280',\n", + " '1,2-propanediol(aq)': 'kegg:C00583',\n", + " 'L-lactaldehyde(aq)': 'kegg:C00424',\n", + " '3-hydroxypropanoate(aq)': 'kegg:C01013',\n", + " '3-oxopropanoate(aq)': 'kegg:C00222',\n", + " '2-hydroxy-3-oxopropanoate(aq)': 'kegg:C01146',\n", + " '4-hydroxybutanoate(aq)': 'kegg:C00989',\n", + " '4-oxobutanoate(aq)': 'kegg:C00232',\n", + " 'estradiol-17(aq)': 'kegg:C00951',\n", + " 'estrone(aq)': 'kegg:C00468',\n", + " '(R)-glyceraldehyde(aq)': 'kegg:C00577',\n", + " '3-phospho-D-glycerate(aq)': 'kegg:C00197',\n", + " '3-phosphohydroxypyruvate(aq)': 'kegg:C03232',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)': 'kegg:C04367',\n", + " '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)': 'kegg:C01244',\n", + " '3-hydroxybenzyl alcohol(aq)': 'kegg:C03351',\n", + " '3-hydroxybenzaldehyde(aq)': 'kegg:C03067',\n", + " 'L-carnitine(aq)': 'kegg:C00318',\n", + " '3-dehydrocarnitine(aq)': 'kegg:C02636',\n", + " 'indole-3-lactate(aq)': 'kegg:C02043',\n", + " 'indole-3-pyruvate(aq)': 'kegg:C00331',\n", + " 'D-glucose(aq)': 'kegg:C00031',\n", + " '5-dehydro-D-fructose(aq)': 'kegg:C00273',\n", + " '2-deoxy-D-gluconate(aq)': 'kegg:C02782',\n", + " '2-deoxy-3-dehydro-D-gluconate(aq)': 'kegg:C03926',\n", + " 'L-threonate(aq)': 'kegg:C01620',\n", + " '3-oxo-L-threonate(aq)': 'kegg:C03064',\n", + " 'D-sorbitol 6-phosphate(aq)': 'kegg:C01096',\n", + " 'prostaglandin E1(aq)': 'kegg:C04741',\n", + " '15-oxo-prostaglandin E1(aq)': 'kegg:C04654',\n", + " '7,8-dihydrobiopterin(aq)': 'kegg:C02953',\n", + " 'sepiapterin(aq)': 'kegg:C00835',\n", + " 'coniferyl alcohol(aq)': 'kegg:C00590',\n", + " 'coniferyl aldehyde(aq)': 'kegg:C02666',\n", + " '(R)-2-hydroxyglutarate(aq)': 'kegg:C01087',\n", + " 'D-gluconate(aq)': 'kegg:C00257',\n", + " '2-oxo-D-gluconate(aq)': 'kegg:C06473',\n", + " 'lactose(aq)': 'kegg:C00243',\n", + " 'cytochrome c(aq)': '4 kegg:C00125',\n", + " '3-oxolactose(aq)': 'kegg:C05403',\n", + " 'reduced cytochrome c(aq)': '4 kegg:C00126',\n", + " 'formate(aq)': 'kegg:C00058',\n", + " 'orthophosphate(aq)': 'kegg:C00009',\n", + " 'L-4-aspartyl phosphate(aq)': 'kegg:C03082',\n", + " 'L-aspartate-4-semialdehyde(aq)': 'kegg:C00441',\n", + " 'D-glyceraldehyde 3-phosphate(aq)': 'kegg:C00118',\n", + " '3-phospho-D-glyceroyl phosphate(aq)': 'kegg:C00236',\n", + " 'ADP(aq)': 'kegg:C00008',\n", + " 'ATP(aq)': 'kegg:C00002',\n", + " 'oxalyl-CoA(aq)': 'kegg:C00313',\n", + " 'succinate(aq)': 'kegg:C00042',\n", + " 'O2(aq)': 'kegg:C00007',\n", + " 'fumarate(aq)': 'kegg:C00122',\n", + " '(S)-dihydroorotate(aq)': 'kegg:C00337',\n", + " 'orotate(aq)': 'kegg:C00295',\n", + " 'L-alanine(aq)': 'kegg:C00041',\n", + " 'ammonia(aq)': 'kegg:C00014',\n", + " 'L-leucine(aq)': 'kegg:C00123',\n", + " '4-methyl-2-oxopentanoate(aq)': 'kegg:C00233',\n", + " 'L-erythro-3,5-diaminohexanoate(aq)': 'kegg:C01186',\n", + " '(S)-5-amino-3-oxohexanoate(aq)': 'kegg:C03656',\n", + " '2,4-diaminopentanoate(aq)': 'kegg:C03943',\n", + " '2-amino-4-oxopentanoate(aq)': 'kegg:C03341',\n", + " '(S)-proline(aq)': 'kegg:C00148',\n", + " 'D-1-pyrroline-2-carboxylate(aq)': 'kegg:C03564',\n", + " 'D-1-pyrroline-5-carboxylate(aq)': 'kegg:C03912',\n", + " '7,8-dihydrofolate(aq)': 'kegg:C00415',\n", + " 'folate(aq)': 'kegg:C00504',\n", + " '5,6,7,8-tetrahydrofolate(aq)': 'kegg:C00101',\n", + " '5,10-methylenetetrahydrofolate(aq)': 'kegg:C00143',\n", + " '5,10-methenyltetrahydrofolate(aq)': 'kegg:C00445',\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq)': 'kegg:C04137',\n", + " 'L-arginine(aq)': 'kegg:C00062',\n", + " \"2,2'-iminodipropanoate(aq)\": 'kegg:C03210',\n", + " 'L-pipecolate(aq)': 'kegg:C00408',\n", + " 'D-1-piperidine-2-carboxylate(aq)': 'kegg:C04092',\n", + " 'reduced glutathione(aq)': '2 kegg:C00051',\n", + " 'oxidized glutathione(aq)': 'kegg:C00127',\n", + " 'reduced thioredoxin(aq)': 'kegg:C00342',\n", + " 'oxidized thioredoxin(aq)': 'kegg:C00343',\n", + " '5-methyltetrahydrofolate(aq)': 'kegg:C00440',\n", + " 'flavin-adenine dinucleotide(aq)': 'kegg:C00016',\n", + " 'reduced flavin-adenine dinucleotide(aq)': 'kegg:C01352',\n", + " 'dihydrolipoamide(aq)': 'kegg:C00579',\n", + " 'lipoamide(aq)': 'kegg:C00248',\n", + " 'dihydro--lipoate(aq)': 'kegg:C02147',\n", + " '-lipoate(aq)': 'kegg:C00725',\n", + " 'CoA-glutathione(aq)': 'kegg:C00920',\n", + " 'H2(aq)': 'kegg:C00282',\n", + " 'betaine(aq)': 'kegg:C00719',\n", + " 'L-homocysteine(aq)': 'kegg:C00155',\n", + " 'N,N-dimethylglycine(aq)': 'kegg:C01026',\n", + " 'L-methionine(aq)': 'kegg:C00073',\n", + " 'dimethylacetothetin(aq)': 'kegg:C03392',\n", + " 'S-methylthioglycolate(aq)': 'kegg:C03173',\n", + " 'trimethylsulfonium(aq)': 'kegg:C01008',\n", + " 'dimethylsulfide(aq)': 'kegg:C00580',\n", + " 'S-adenosyl-L-methionine(aq)': 'kegg:C00019',\n", + " 'S-adenosyl-L-homocysteine(aq)': 'kegg:C00021',\n", + " 'dUMP(aq)': 'kegg:C00365',\n", + " 'dihydrofolate(aq)': 'kegg:C00415',\n", + " 'dTMP(aq)': 'kegg:C00364',\n", + " 'glycine(aq)': 'kegg:C00037',\n", + " 'L-threonine(aq)': 'kegg:C00188',\n", + " 'formaldehyde(aq)': 'kegg:C00067',\n", + " 'L-serine(aq)': 'kegg:C00065',\n", + " 'tetrahydrofolate(aq)': 'kegg:C00101',\n", + " '5-formiminotetrahydrofolate(aq)': 'kegg:C00664',\n", + " 'N-formiminoglycine(aq)': 'kegg:C02718',\n", + " 'N-formimino-L-glutamate(aq)': 'kegg:C00439',\n", + " '2-hydroxymethylserine(aq)': 'kegg:C03059',\n", + " 'D-serine(aq)': 'kegg:C00740',\n", + " 'H2O(1)': 'kegg:C00001',\n", + " '2-methylserine(aq)': 'kegg:C02115',\n", + " 'D-alanine(aq)': 'kegg:C00133',\n", + " 'propanoyl-CoA(aq)': 'kegg:C00100',\n", + " 'methylmalonyl-CoA(aq)': 'kegg:C02557',\n", + " 'carbamoyl phosphate(aq)': 'kegg:C00169',\n", + " 'L-ornithine(aq)': 'kegg:C00077',\n", + " 'L-citrulline(aq)': 'kegg:C00327',\n", + " 'guanidinoacetate(aq)': 'kegg:C00581',\n", + " 'D-erythrose 4-phosphate(aq)': 'kegg:C00279',\n", + " 'D-xylulose 5-phosphate(aq)': 'kegg:C00231',\n", + " 'D-erythrose 4-phospahte(aq)': 'kegg:C00279',\n", + " 'glycolaldehyde(aq)': 'kegg:C00266',\n", + " 'L-erythrulose(aq)': 'kegg:C02045',\n", + " 'sedoheptulose 7-phosphate(aq)': 'kegg:C05382',\n", + " 'D-ribose 5-phosphate(aq)': 'kegg:C00117',\n", + " 'D-glyceraldehyde-3-phosphate(aq)': 'kegg:C00118',\n", + " 'D-glyceraldehyde(aq)': 'kegg:C00577',\n", + " 'acetyl phosphate(aq)': 'kegg:C00227',\n", + " 'imidazole(aq)': 'kegg:C01589',\n", + " 'N-acetylimidazole(aq)': 'kegg:C02560',\n", + " 'choline(aq)': 'kegg:C00114',\n", + " 'O-acetylcholine(aq)': 'kegg:C01996',\n", + " 'L-acetylcarnitine(aq)': 'kegg:C02571',\n", + " 'propionyl-CoA(aq)': 'kegg:C00100',\n", + " 'L-propionylcarnitine(aq)': 'kegg:C03017',\n", + " 'formyl-CoA(aq)': 'kegg:C00798',\n", + " 'formyl phosphate(aq)': 'kegg:C02405',\n", + " 'acetate(aq)': 'kegg:C00033',\n", + " 'orthophospate(aq)': 'kegg:C00009',\n", + " 'acetoacetyl-CoA(aq)': 'kegg:C00332',\n", + " 'palmitoyl-CoA(aq)': 'kegg:C00154',\n", + " 'L-palmitoylcarnitine(aq)': 'kegg:C02990',\n", + " 'N-2-acetyl-L-ornithine(aq)': 'kegg:C00437',\n", + " 'N-acetyl-L-glutamate(aq)': 'kegg:C00624',\n", + " 'acyl-carrier protein(aq)': 'kegg:C00229',\n", + " 'acetyl-[acyl-carrier protein](aq)': 'kegg:C03939',\n", + " 'malonyl-CoA(aq)': 'kegg:C00083',\n", + " 'malonyl-[acyl-carrier protein](aq)': 'kegg:C01209',\n", + " 'sucrose(aq)': 'kegg:C00089',\n", + " '-D-glucose 1-phosphate(aq)': 'kegg:C00103',\n", + " 'maltose(aq)': 'kegg:C00208',\n", + " 'D-glucose 1-phosphate(aq)': 'kegg:C00103',\n", + " 'ADPglucose(aq)': 'kegg:C00498',\n", + " 'UDPglucose(aq)': 'kegg:C00029',\n", + " 'UDP(aq)': '2 kegg:C00015',\n", + " 'sucrose 6-phosphate(aq)': 'kegg:C16688',\n", + " 'UDP-glucose': 'kegg:C00029',\n", + " 'D-glucose 6-phosphate': 'kegg:C00092',\n", + " 'UDP': 'kegg:C00015',\n", + " \"alpha,alpha'-trehalose 6-phosphate\": 'kegg:C00689',\n", + " 'cellobiose(aq)': 'kegg:C00185',\n", + " 'cellotriose(aq)': 'kegg:C06219',\n", + " 'laminaribiose(aq)': 'kegg:C02048',\n", + " ',-trehalose(aq)': 'kegg:C01083',\n", + " '1--D-galactosyl-myo-inositol(aq)': 'kegg:C01235',\n", + " 'raffinose(aq)': 'kegg:C00492',\n", + " 'myo-inositol(aq)': 'kegg:C00137',\n", + " 'stachyose(aq)': 'kegg:C01613',\n", + " 'sinapate(aq)': 'kegg:C00482',\n", + " '1-sinapoyl-D-glucose(aq)': 'kegg:C01175',\n", + " 'adenosine(aq)': 'kegg:C00212',\n", + " 'adenine(aq)': 'kegg:C00147',\n", + " 'D-ribose 1-phosphate(aq)': 'kegg:C00620',\n", + " \"2'-deoxyinosine(aq)\": 'kegg:C05512',\n", + " 'hypoxanthine(aq)': 'kegg:C00262',\n", + " '2-deoxy--D-ribose 1-phosphate(aq)': 'kegg:C00672',\n", + " 'guanosine(aq)': 'kegg:C00387',\n", + " 'guanine(aq)': 'kegg:C00242',\n", + " 'inosine(aq)': 'kegg:C00294',\n", + " 'nicotinamide(aq)': 'kegg:C00153',\n", + " 'nicotinamide riboside(aq)': 'kegg:C03150',\n", + " 'xanthosine(aq)': 'kegg:C01762',\n", + " 'xanthine(aq)': 'kegg:C00385',\n", + " 'uridine(aq)': 'kegg:C00299',\n", + " 'uracil(aq)': 'kegg:C00106',\n", + " 'thymidine(aq)': 'kegg:C00214',\n", + " \"2'-deoxyadenosine(aq)\": 'kegg:C00559',\n", + " 'thymine(aq)': 'kegg:C00178',\n", + " '5-phospho--D-ribose 1-diphosphate(aq)': 'kegg:C00119',\n", + " 'AMP(aq)': 'kegg:C00020',\n", + " 'pyrophosphate(aq)': 'kegg:C00013',\n", + " 'GMP(aq)': 'kegg:C00144',\n", + " 'IMP(aq)': 'kegg:C00130',\n", + " \"orotidine 5'-phosphate(aq)\": 'kegg:C01103',\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq)': 'kegg:C04752',\n", + " '4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq)': 'kegg:C04327',\n", + " 'thiamine monophosphate(aq)': 'kegg:C01081',\n", + " 'erythro-3-hydroxyaspartate(aq)': 'kegg:C19838',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)': 'kegg:C03459',\n", + " 'L-histidinol phosphate(aq)': 'kegg:C01100',\n", + " '3-(imidazol-4-yl)-2-oxopropyl phosphate(aq)': 'kegg:C01267',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)': 'kegg:C03912',\n", + " 'L-glutamine(aq)': 'kegg:C00064',\n", + " '2-oxoglutaramate(aq)': 'kegg:C00940',\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq)': 'kegg:C04462',\n", + " 'N-succinyl-L-2,6-diaminoheptanedioate(aq)': 'kegg:C04421',\n", + " 'L-alanine': 'kegg:C00041',\n", + " '3-oxopropanoate': 'kegg:C00222',\n", + " 'beta-alanine': 'kegg:C00099',\n", + " 'pyruvate': 'kegg:C00022',\n", + " '4-aminobutanoate(aq)': 'kegg:C00334',\n", + " 'D-glutamate(aq)': 'kegg:C00217',\n", + " 'pyridoxamine(aq)': 'kegg:C00534',\n", + " 'pyridoxal(aq)': 'kegg:C00250',\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq)': 'kegg:C04268',\n", + " 'dTDP-4-dehydro-6-deoxy-D-glucose(aq)': 'kegg:C11907',\n", + " 'L-2-aminoadipate(aq)': 'kegg:C00956',\n", + " '2-oxoadipate(aq)': 'kegg:C00322',\n", + " '3-phosphonooxypyruvate(aq)': 'kegg:C03232',\n", + " 'O-phospho-L-serine(aq)': 'kegg:C01005',\n", + " 'D-mannose(aq)': 'kegg:C00159',\n", + " 'D-mannose 6-phosphate(aq)': 'kegg:C00275',\n", + " 'D-galactose 1-phosphate(aq)': 'kegg:C03384',\n", + " 'D-fructose 1,6-bisphosphate(aq)': 'kegg:C00354',\n", + " \"3'-dephospho-CoA(aq)\": 'kegg:C00882',\n", + " 'phosphoenolpyruvate(aq)': 'kegg:C00074',\n", + " '1-phosphatidyl-1D-myo-inositol(aq)': 'kegg:C01194',\n", + " '1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)': 'kegg:C01277',\n", + " 'ammonium carbamate(aq)': 'kegg:C01563',\n", + " '4-phospho-L-aspartate(aq)': 'kegg:C03082',\n", + " 'phosphoguanidinoacetate(aq)': 'kegg:C03166',\n", + " 'creatine(aq)': 'kegg:C00300',\n", + " 'phosphocreatine(aq)': 'kegg:C02305',\n", + " 'N-w-phospho-L-arginine(aq)': 'kegg:C05945',\n", + " 'taurocyamine(aq)': 'kegg:C01959',\n", + " 'N-w-phosphotaurocyamine(aq)': 'kegg:C03149',\n", + " 'lombricine(aq)': 'kegg:C14177',\n", + " 'N-w-phospholombricine(aq)': 'kegg:C14178',\n", + " '(R)-5-phosphomevalonate(aq)': 'kegg:C01107',\n", + " '(R)-5-diphosphomevalonate(aq)': 'kegg:C01143',\n", + " 'dADP(aq)': '2 kegg:C00206',\n", + " 'dAMP(aq)': 'kegg:C00360',\n", + " 'dATP(aq)': 'kegg:C00131',\n", + " \"adenosine 5'-tetraphosphate(aq)\": 'kegg:C03483',\n", + " 'UTP(aq)': 'kegg:C00075',\n", + " 'UMP(aq)': 'kegg:C00105',\n", + " \"inosine 5'-diphosphate(aq)\": 'kegg:C00104',\n", + " \"inosine 5'-triphosphate(aq)\": 'kegg:C00081',\n", + " 'GDP(aq)': 'kegg:C00035',\n", + " 'GTP(aq)': 'kegg:C00044',\n", + " 'dGMP(aq)': 'kegg:C00362',\n", + " 'dGDP(aq)': 'kegg:C00361',\n", + " 'dTDP(aq)': 'kegg:C00363',\n", + " 'CMP(aq)': 'kegg:C00055',\n", + " 'CDP(aq)': 'kegg:C00112',\n", + " 'dCMP(aq)': 'kegg:C00239',\n", + " 'dCDP(aq)': 'kegg:C00705',\n", + " 'ATP': 'kegg:C00002',\n", + " 'beta-Nicotinamide mononucleotide': 'kegg:C00455',\n", + " 'NAD': 'kegg:C00003',\n", + " 'pyrophosphate': 'kegg:C00013',\n", + " 'sulfate(aq)': 'kegg:C00059',\n", + " \"adenosine 5'-phosphosulfate(aq)\": 'kegg:C00224',\n", + " 'UDPgalactose(aq)': 'kegg:C00052',\n", + " '-D-galactose 1-phosphate(aq)': 'kegg:C03384',\n", + " 'D-mannose 1-phosphate(aq)': 'kegg:C00636',\n", + " 'GDPmannose(aq)': 'kegg:C00096',\n", + " 'CTP(aq)': 'kegg:C00063',\n", + " 'O-phosphorylethanolamine(aq)': 'kegg:C00346',\n", + " 'CDPethanolamine(aq)': 'kegg:C00570',\n", + " 'phosphorylcholine(aq)': 'kegg:C00588',\n", + " 'CDPcholine(aq)': 'kegg:C00307',\n", + " 'N-acetyl--D-glucosamine 1-phosphate(aq)': 'kegg:C04256',\n", + " 'UDP-N-acetyl-D-glucosamine(aq)': 'kegg:C00043',\n", + " 'dTTP(aq)': 'kegg:C00459',\n", + " 'dTDPglucose(aq)': 'kegg:C00842',\n", + " 'CDPglucose(aq)': 'kegg:C00501',\n", + " 'GDPglucose(aq)': 'kegg:C00394',\n", + " '[L-glutamate:ammonia ligase(ADP-forming)](aq)': 'kegg:C01281',\n", + " 'adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)': 'kegg:C01299',\n", + " '1-phospho--D-glucuronate(aq)': 'kegg:C05385',\n", + " 'UDP-D-glucuronate(aq)': 'kegg:C00167',\n", + " 'succinyl-CoA(aq)': 'kegg:C00091',\n", + " 'acetoacetate(aq)': 'kegg:C00164',\n", + " 'acetylcholine(aq)': 'kegg:C01996',\n", + " 'retinyl palmitate(aq)': 'kegg:C02588',\n", + " 'retinol(aq)': 'kegg:C00473',\n", + " 'palmitate(aq)': 'kegg:C00249',\n", + " 'acetyl phosphate-2-(aq)': 'kegg:C00227',\n", + " 'acetate-(aq)': 'kegg:C00033',\n", + " 'HPO4-2-(aq)': 'kegg:C00009',\n", + " 'ADP-3-(aq)': 'kegg:C00008',\n", + " 'AMP-2--(aq)': 'kegg:C00020',\n", + " 'D-fructose 1-phosphate(aq)': 'kegg:C01094',\n", + " 'D-galactose 6-phosphate(aq)': 'kegg:C01113',\n", + " '4-nitrophenyl phosphate(aq)': 'kegg:C03360',\n", + " '4-nitrophenol(aq)': 'kegg:C00870',\n", + " 'phenyl phosphate(aq)': 'kegg:C02734',\n", + " 'phenol(aq)': 'kegg:C00146',\n", + " '(R)-3-phosphoglycerate(aq)': 'kegg:C00197',\n", + " 'phosphoenolpyruvate3-(aq)': 'kegg:C00074',\n", + " 'pyruvate-(aq)': 'kegg:C00022',\n", + " 'L-O-phosphoserine(aq)': 'kegg:C01005',\n", + " 'phosphotaurocyamine(aq)': 'kegg:C03149',\n", + " 'D-ribose(aq)': 'kegg:C00121',\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00575',\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00968',\n", + " \"2'-deoxyadenosine 5'-monophosphate(aq)\": 'kegg:C00360',\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00942',\n", + " \"inosine 3':5'-(cyclic)phosphate(aq)\": 'kegg:C00943',\n", + " \"adenosine 3'-monophosphate(aq)\": 'kegg:C01367',\n", + " 'maltotetraose(aq)': 'kegg:C02052',\n", + " 'isomaltose(aq)': 'kegg:C00252',\n", + " 'isomaltotriose(aq)': 'kegg:C02160',\n", + " 'maltohexaose(aq)': 'kegg:C01936',\n", + " 'maltotriose(aq)': 'kegg:C01835',\n", + " 'panose(aq)': 'kegg:C00713',\n", + " 'palatinose(aq)': 'kegg:C01742',\n", + " 'D-turanose(aq)': 'kegg:C19636',\n", + " '-gentiobiose(aq)': 'kegg:C08240',\n", + " '-D-melibiose(aq)': 'kegg:C05402',\n", + " 'lactulose(aq)': 'kegg:C07064',\n", + " 'ADPribose(aq)': 'kegg:C01882',\n", + " 'L-asparagine(aq)': 'kegg:C00152',\n", + " 'carbamate(aq)': 'kegg:C01563',\n", + " 'urea(aq)': 'kegg:C00086',\n", + " 'cephalothin(aq)': 'kegg:C07761',\n", + " '2-thienylacetic acid(aq)': 'kegg:C02595',\n", + " '7-aminocephalosporanic acid(aq)': 'kegg:C07756',\n", + " 'penicillin G(aq)': 'kegg:C05551',\n", + " '6-aminopenicillanic acid(aq)': 'kegg:C02954',\n", + " 'phenylacetic acid(aq)': 'kegg:C07086',\n", + " 'penicillin G-(aq)': 'kegg:C05551',\n", + " '6-aminopenicillanic acid-(aq)': 'kegg:C02954',\n", + " 'phenoxymethylpenicillin-(aq)': 'kegg:C08126',\n", + " '6-aminopenicillanate-(aq)': 'kegg:C02954',\n", + " 'phenoxyacetate(aq)': 'kegg:C02181',\n", + " 'phenylacetylglycine(aq)': 'kegg:C05598',\n", + " 'N-acetyl-L-methionine(aq)': 'kegg:C02712',\n", + " 'pantothenate': 'kegg:C00864',\n", + " 'H2O': 'kegg:C00001',\n", + " 'pantoic acid': 'kegg:C00522',\n", + " 'N-carbamoyl-L-aspartate(aq)': 'kegg:C00438',\n", + " 'L-5-carboxymethylhydantoin(aq)': 'kegg:C03703',\n", + " 'penicillinoic acid(aq)': 'kegg:C06567',\n", + " 'allantoate(aq)': 'kegg:C00499',\n", + " '(-)-ureidoglycolate(aq)': 'kegg:C00603',\n", + " 'cytidine(aq)': 'kegg:C00475',\n", + " '10-formyltetrahydrofolate(aq)': 'kegg:C00234',\n", + " 'adenylyl sulfate(aq)': 'kegg:C00224',\n", + " 'trimetaphosphate(aq)': 'kegg:C02466',\n", + " 'triphosphate(aq)': 'kegg:C00536',\n", + " '-nicotinamide mononucleotide(aq)': 'kegg:C00455',\n", + " 'ATP-4-(aq)': 'kegg:C00002',\n", + " 'ITP(aq)': 'kegg:C00081',\n", + " 'IDP(aq)': 'kegg:C00104',\n", + " 'diphosphate(aq)': 'kegg:C00013',\n", + " 'phosphate(aq)': 'kegg:C00009',\n", + " 'D-ribulose 1,5-biphosphate(aq)': 'kegg:C01182',\n", + " 'erythrulose 1-phosphate(aq)': 'kegg:C03394',\n", + " 'glycerone phosphate(aq)': 'kegg:C00111',\n", + " '2-deoxy-D-ribose 5-phosphate(aq)': 'kegg:C00673',\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq)': 'kegg:C04442',\n", + " 'L-fuculose 1-phosphate(aq)': 'kegg:C01099',\n", + " '(S)-lactaldehyde(aq)': 'kegg:C00424',\n", + " '2-dehydro-3-deoxy-D-fuconate(aq)': 'kegg:C06159',\n", + " '2-dehydro-3-deoxy-L-pentonate(aq)': 'kegg:C00684',\n", + " 'L-rhamnulose 1-phosphate(aq)': 'kegg:C01131',\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq)': 'kegg:C01286',\n", + " 'D-arabino-3-hexulose 6-phosphate(aq)': 'kegg:C06019',\n", + " 'N-acetylneuraminate(aq)': 'kegg:C00270',\n", + " 'N-acetyl-D-mannosamine(aq)': 'kegg:C00645',\n", + " '4-hydroxy-2-oxoglutarate(aq)': 'kegg:C01127',\n", + " '(S)-2-methylmalate(aq)': 'kegg:C02614',\n", + " '(R,S)-malyl-CoA(aq)': 'kegg:C04348',\n", + " '2,3-dimethylmalate(aq)': 'kegg:C03652',\n", + " 'propanoate(aq)': 'kegg:C00163',\n", + " 'L-tryptophan(aq)': 'kegg:C00078',\n", + " 'indole(aq)': 'kegg:C00463',\n", + " 'cis-aconitate(aq)': 'kegg:C00417',\n", + " '3-dehydroquinate(aq)': 'kegg:C00944',\n", + " '2-phospho-D-glycerate(aq)': 'kegg:C00631',\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C03561',\n", + " 'cis-but-2-enoyl-CoA(aq)': 'kegg:C00877',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " 'trans-but-2-enoyl-CoA(aq)': 'kegg:C00877',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)': 'kegg:C05268',\n", + " 'trans-hex-2-enoyl-CoA(aq)': 'kegg:C05271',\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq)': 'kegg:C03506',\n", + " '(R)-malate(aq)': 'kegg:C00497',\n", + " 'maleate(aq)': 'kegg:C01384',\n", + " '2-methylfumarate(aq)': 'kegg:C01732',\n", + " '(R)-2-methylmalate(aq)': 'kegg:C02612',\n", + " '2-methylmaleate(aq)': 'kegg:C02226',\n", + " '5-oxo-D-proline(aq)': 'kegg:C02237',\n", + " 'urocanate(aq)': 'kegg:C00785',\n", + " '4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)': 'kegg:C03680',\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)': 'kegg:C04618',\n", + " 'cis-but-2-enoyl-[acyl-carrier protein](aq)': 'kegg:C04246',\n", + " '(2R,3S)-2,3-dimethylmalate(aq)': 'kegg:C03652',\n", + " 'dimethylmaleate(aq)': 'kegg:C00922',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)': 'kegg:C01144',\n", + " 'L-threo-3-methylaspartate(aq)': 'kegg:C03618',\n", + " 'L-histidine(aq)': 'kegg:C00135',\n", + " 'L-phenylalanine(aq)': 'kegg:C00079',\n", + " 'trans-cinnamate(aq)': 'kegg:C00423',\n", + " 'N-(L-argino)succinate(aq)': 'kegg:C03406',\n", + " 'adenylosuccinate(aq)': 'kegg:C03794',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole\": 'kegg:C04823',\n", + " 'Fumarate': 'kegg:C00122',\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\": 'kegg:C04677',\n", + " '(R)-S-lactoylglutathione(aq)': 'kegg:C03451',\n", + " 'glutathione (reduced)(aq)': 'kegg:C00051',\n", + " 'methylglyoxal(aq)': 'kegg:C00546',\n", + " 'L-lysine(aq)': 'kegg:C00047',\n", + " 'D-lysine(aq)': 'kegg:C00739',\n", + " 'L,L-2,6-diaminoheptanedioate(aq)': 'kegg:C00666',\n", + " 'meso-diaminoheptanedioate(aq)': 'kegg:C00680',\n", + " 'trans-4-hydroxy-L-proline(aq)': 'kegg:C01157',\n", + " 'cis-4-hydroxy-D-proline(aq)': 'kegg:C03440',\n", + " 'D-leucine(aq)': 'kegg:C01570',\n", + " 'L-ribulose 5-phosphate(aq)': 'kegg:C01101',\n", + " 'UDP-L-arabinose(aq)': 'kegg:C00935',\n", + " 'UDP-D-xylose(aq)': 'kegg:C00190',\n", + " 'UDP-D-galacturonate(aq)': 'kegg:C00617',\n", + " 'N-acetyl-D-glucosamine(aq)': 'kegg:C00140',\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq)': 'kegg:C00357',\n", + " 'N-acetyl-D-mannosamine 6-phosphate(aq)': 'kegg:C04257',\n", + " 'CDP-3,6-dideoxy-D-glucose(aq)': 'kegg:C03598',\n", + " 'CDP-3,6-dideoxy-D-mannose(aq)': 'kegg:C03599',\n", + " 'alpha-D-Glucose 6-phosphate(aq)': 'kegg:C00668',\n", + " 'beta-D-Glucose 6-phosphate(aq)': 'kegg:C01172',\n", + " 'GDP-L-galactose(aq)': 'kegg:C02280',\n", + " '(R)-methylmalonyl-CoA(aq)': 'kegg:C01213',\n", + " '(S)-methylmalonyl-CoA(aq)': 'kegg:C00683',\n", + " 'all-trans-retinal(aq)': 'kegg:C00376',\n", + " '11-cis-retinal(aq)': 'kegg:C02110',\n", + " '9-cis,12-cis-octadecadienoate(aq)': 'kegg:C01595',\n", + " '9-cis,11-trans-octadecadienoate(aq)': 'kegg:C04056',\n", + " 'D-erythrose(aq)': 'kegg:C01796',\n", + " 'D-erythrulose(aq)': 'kegg:C02022',\n", + " 'D-arabinose(aq)': 'kegg:C00216',\n", + " 'L-fucose(aq)': 'kegg:C01019',\n", + " 'L-fuculose(aq)': 'kegg:C01721',\n", + " 'L-arabinose(aq)': 'kegg:C00259',\n", + " 'L-ribulose(aq)': 'kegg:C00508',\n", + " 'D-psicose(aq)': 'kegg:C06468',\n", + " '-D-allose(aq)': 'kegg:C01487',\n", + " 'D-altrose(aq)': 'kegg:C06464',\n", + " 'D-lyxose(aq)': 'kegg:C00476',\n", + " 'D-glucosamine 6-phosphate(aq)': 'kegg:C00352',\n", + " 'D-galacturonate(aq)': 'kegg:C00333',\n", + " 'D-tagaturonate(aq)': 'kegg:C00558',\n", + " 'D-glucuronate(aq)': 'kegg:C00191',\n", + " 'D-fructuronate(aq)': 'kegg:C00905',\n", + " 'D-arabinose 5-phosphate(aq)': 'kegg:C01112',\n", + " 'L-rhamnose(aq)': 'kegg:C00507',\n", + " 'L-rhamnulose(aq)': 'kegg:C00861',\n", + " 'keto-phenylpyruvate(aq)': 'kegg:C00166',\n", + " 'enol-phenylpyruvate(aq)': 'kegg:C02763',\n", + " 'keto-oxaloacetate(aq)': 'kegg:C00036',\n", + " 'enol-oxaloacetate(aq)': 'kegg:C03981',\n", + " 'isopentenyl diphosphate(aq)': 'kegg:C00129',\n", + " 'dimethylallyl diphosphate(aq)': 'kegg:C00235',\n", + " 'methylitaconate(aq)': 'kegg:C02295',\n", + " 'D-glucosamine 1-phosphate(aq)': 'kegg:C06156',\n", + " 'D-glucose 1,6-diphosphate(aq)': 'kegg:C01231',\n", + " '-D-glucose 6-phosphate(aq)': 'kegg:C00092',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq)': 'kegg:C04256',\n", + " '(3S)-3,6-diaminohexanoate(aq)': 'kegg:C01142',\n", + " 'D-ornithine(aq)': 'kegg:C00515',\n", + " 'D-threo-2,4-diaminopentanoate(aq)': 'kegg:C03943',\n", + " '2-methyleneglutarate(aq)': 'kegg:C02930',\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq)': 'kegg:C04105',\n", + " 'cis-cis-hexadienedioate(aq)': 'kegg:C02480',\n", + " 'tetrahydroxypteridine(aq)': 'kegg:C03178',\n", + " 'xanthine-8-carboxylate(aq)': 'kegg:C03314',\n", + " 'L-valine': 'kegg:C00183',\n", + " 'tRNA(Val)': 'kegg:C01653',\n", + " 'AMP': 'kegg:C00020',\n", + " 'diphosphate': 'kegg:C00013',\n", + " 'L-Valyl-tRNA(Val)': 'kegg:C02554',\n", + " 'propanonyl-CoA(aq)': 'kegg:C00100',\n", + " 'L-arginosuccinate(aq)': 'kegg:C03406',\n", + " 'D-arabitol(aq)': 'kegg:C01904',\n", + " 'D-carnitine(aq)': 'kegg:C15025',\n", + " 'prostaglandin E2(aq)': 'kegg:C00584',\n", + " '15-oxo-prostaglandin E2(aq)': 'kegg:C04707',\n", + " 'H2O2(aq)': 'kegg:C00027',\n", + " 'cholesterol(aq)': 'kegg:C00187',\n", + " 'cholest-4-en-3-one(aq)': 'kegg:C00599',\n", + " '1/2 O2(aq)': '0.5 kegg:C00007',\n", + " 'prephenate(aq)': 'kegg:C00254',\n", + " '4-hydroxyphenylpyruvate(aq)': 'kegg:C01179',\n", + " 'lipoate(aq)': 'kegg:C00725',\n", + " 'S-aminomethyldihydro--lipoate(aq)': 'metanetx.chemical:MNXM39260',\n", + " 'urate(aq)': 'kegg:C00366',\n", + " 'allantoin(aq)': 'kegg:C01551',\n", + " 'dodecanal(aq)': 'kegg:C02278',\n", + " 'FMN(reduced)': 'kegg:C01847',\n", + " 'dodecanoic acid(aq)': 'kegg:C02679',\n", + " 'FMN(oxidized)': 'kegg:C00061',\n", + " '(+)-camphor(aq)': 'kegg:C00808',\n", + " '(+)-5-exo-hydroxycamphor(aq)': 'kegg:C03448',\n", + " 'CH2-H4PteGlu4(aq)': 'kegg:C04377',\n", + " 'H4PteGlu4(aq)': 'kegg:C01217',\n", + " 'O-acetyl-L-serine(aq)': 'kegg:C00979',\n", + " 'phenylpyruvate(aq)': 'kegg:C00166',\n", + " 'L-tyrosine(aq)': 'kegg:C00082',\n", + " '4-methyl-2-oxopentanooate(aq)': 'kegg:C00233',\n", + " '3-aminopropionaldehyde(aq)': 'kegg:C05665',\n", + " '1,3-diaminopropane(aq)': 'kegg:C00986',\n", + " '-isomaltose(aq)': 'kegg:C00252',\n", + " 'amoxicillin(aq)': 'kegg:C06827',\n", + " 'D-4-hydroxyphenylglycine(aq)': 'kegg:C03493',\n", + " 'N-glycolylneuraminate(aq)': 'kegg:C03410',\n", + " 'N-glycolyl-D-mannosamine(aq)': 'kegg:C03521',\n", + " 'chorismate(aq)': 'kegg:C00251',\n", + " '4-hydroxybenzoate(aq)': 'kegg:C00156',\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq)': 'kegg:C06322',\n", + " '6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)': 'kegg:C06749',\n", + " 'H2o(l)': 'kegg:C00001',\n", + " '4-amino-4-deoxychorismate(aq)': 'kegg:C11355',\n", + " 'isochorismate(aq)': 'kegg:C00885',\n", + " '2-amino-2-deoxyisochorismate(aq)': 'kegg:C18054',\n", + " 'NADP(ox)(aq)': 'kegg:C00006',\n", + " 'NADP(red)(aq)': 'kegg:C00005',\n", + " 'D-mannitol-1-phosphate(aq)': 'kegg:C00644',\n", + " 'NAD(ox)(aq)': 'kegg:C00003',\n", + " 'NAD(red)(aq)': 'kegg:C00004',\n", + " 'D-2-hydroxy-n-butanoate(aq)': 'kegg:C05984',\n", + " 'pyridoxine(aq)': 'kegg:C00314',\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)': 'kegg:C05662',\n", + " 'NAD(ox)': 'kegg:C00003',\n", + " 'NAD(red)': 'kegg:C00004',\n", + " '(R)-pantoate(aq)': 'kegg:C00522',\n", + " 'NADP(ox)': 'kegg:C00006',\n", + " '2-dehydropantoate(aq)': 'kegg:C00966',\n", + " '2-keto-L-gulonate(aq)': 'kegg:C15673',\n", + " '2,5-diketo-D-gluconate(aq)': 'kegg:C02780',\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine': 'kegg:C00449',\n", + " 'glutathoine(red)(aq)': '2 kegg:C00051',\n", + " 'glutathoine(ox)(aq)': 'kegg:C00127',\n", + " 'O2-': '2 kegg:C00704',\n", + " 'O2': 'kegg:C00007',\n", + " 'H2O2': 'kegg:C00027',\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq)': 'kegg:C04688',\n", + " 'acyl-carrier-protein(aq)': 'kegg:C03688',\n", + " 'UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)': 'kegg:C04738',\n", + " 'corrinoid protein(aq)': 'kegg:C06021',\n", + " 'carbon monoxide(aq)': 'kegg:C00237',\n", + " 'methylcorrinoid protein(aq)': 'kegg:C06020',\n", + " \"'-deoxyinosine(aq)\": 'kegg:C05512',\n", + " \"orotidine 5 '-phosphate(aq)\": 'kegg:C01103',\n", + " 'Nicotinate D-ribonucleotide(aq)': 'kegg:C01185',\n", + " 'nicotinic acid(aq)': 'kegg:C00253',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)': 'kegg:C00119',\n", + " \"'-methylthioadenosine(aq)\": 'kegg:C00170',\n", + " '5-methylthio-D-ribose 1-phosphate(aq)': 'kegg:C04188',\n", + " '(2-aminoethyl)phosphonate(aq)': 'kegg:C03557',\n", + " '2-phosphonoacetaldehyde(aq)': 'kegg:C03167',\n", + " '2-oxoisocaproate(aq)': 'kegg:C00233',\n", + " 'L-valine(aq)': 'kegg:C00183',\n", + " '2-oxovalerate(aq)': 'kegg:C06255',\n", + " 'myosin light chain(aq)': 'kegg:C01003',\n", + " 'myosin light chain phosphate(aq)': 'kegg:C03875',\n", + " 'Nomega-phospho-L-arginine(aq)': 'kegg:C05945',\n", + " 'adenylylsulfate(aq)': 'kegg:C00224',\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq)\": 'kegg:C00942',\n", + " \"guanosine 5 '-phosphate(aq)\": 'kegg:C00144',\n", + " 'D-(4-hydroxyphenyl)glycine(aq)': 'kegg:C03493',\n", + " 'N-acetyl-L-phenylalanine(aq)': 'kegg:C03519',\n", + " 'anandamide(aq)': 'kegg:C11695',\n", + " 'ethanolamine(aq)': 'kegg:C00189',\n", + " 'arachidonic acid(aq)': 'kegg:C00219',\n", + " 'palmitoylethanolamide(aq)': 'kegg:C16512',\n", + " 'palmitic acid(aq)': 'kegg:C00249',\n", + " '5,6-dihydrouracil(aq)': 'kegg:C00429',\n", + " '3-ureidopropanoic acid(aq)': 'kegg:C02642',\n", + " '((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)': 'kegg:C05922',\n", + " 'benzonitrile(aq)': 'kegg:C09814',\n", + " 'H2O(aq)': '2 kegg:C00001',\n", + " 'benzoic acid(aq)': 'kegg:C00180',\n", + " 'benzyl cyanide(aq)': 'kegg:C16074',\n", + " '3-indoleacetonitrile(aq)': 'kegg:C02938',\n", + " 'indole-3-acetic acid(aq)': 'kegg:C00954',\n", + " 'D-ribulose 1,5-bisphosphate(aq)': 'kegg:C01182',\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq)': 'kegg:C04691',\n", + " '2-oxo-3-deoxy-D-gluconate(aq)': 'kegg:C00204',\n", + " 'anthranilate(aq)': 'kegg:C00108',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)': 'kegg:C01144',\n", + " 'trans-but-2-enoyl-coenzyme A': 'kegg:C00877',\n", + " '4-(trimethylammonio)but-2-enoate(aq)': 'kegg:C04114',\n", + " 'UDP-N-acetyl-D-galactosamine(aq)': 'kegg:C00203',\n", + " 'D-threose(aq)': 'kegg:C06463',\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq)': 'kegg:C05439',\n", + " '(3,5)-cholesta-8,24-diene-3-ol(aq)': 'kegg:C05437',\n", + " '3-phosphonopyruvate(aq)': 'kegg:C02798',\n", + " 'tRNA-Tyr(aq)': 'kegg:C00787',\n", + " 'L-tyrosyl-tRNA-Tyr(aq)': 'kegg:C02839',\n", + " 'tRNA-Thr(aq)': 'kegg:C01651',\n", + " 'L-threonyl-tRNA-Thr(aq)': 'kegg:C02992',\n", + " 'L-isoleusine(aq)': 'kegg:C00407',\n", + " 'tRNA-Ile(aq)': 'kegg:C01644',\n", + " 'L-isoleucyl-tRNA-Ile(aq)': 'kegg:C03127',\n", + " 'tRNA-Lys(aq)': 'kegg:C01646',\n", + " 'L-lysyl-tRNA-Lys(aq)': 'kegg:C01931',\n", + " 'tRNA-Ser(aq)': 'kegg:C01650',\n", + " 'L-seryl-tRNA-Ser(aq)': 'kegg:C02553',\n", + " 'tRNA-Arg(aq)': 'kegg:C01636',\n", + " 'L-arginyl-tRNA-Arg(aq)': 'kegg:C02163',\n", + " 'tRNA-Phe(aq)': 'kegg:C01648',\n", + " 'L-phenylalanyl-tRNA-Phe(aq)': 'kegg:C03511',\n", + " 'tRNA-His(aq)': 'kegg:C01643',\n", + " 'L-histidyl-tRNA-His(aq)': 'kegg:C02988',\n", + " 'NAD+(aq)': 'kegg:C00003',\n", + " 'THF(aq)': 'kegg:C00101',\n", + " '5,10-CH2-THF(aq)': 'kegg:C00143',\n", + " 'NH3(aq)': 'kegg:C00014',\n", + " 'CO2(aq)': 'kegg:C00288',\n", + " 'Aminoimidazole ribotide': 'kegg:C03373',\n", + " 'CO2': 'kegg:C00288',\n", + " '1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate': 'kegg:C04751',\n", + " '10-Formyltetrahydrofolate': 'kegg:C00234',\n", + " 'Tetrahydrofolate': 'kegg:C00101',\n", + " \"1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\": 'kegg:C04734',\n", + " 'D-Ribulose 5-phosphate': 'kegg:C00199',\n", + " 'Formaldehyde': 'kegg:C00067',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate': 'kegg:C06019',\n", + " 'D-Fructose 6-phosphate': 'kegg:C00085',\n", + " ',-trehalose 6-phosphate(aq)': 'kegg:C00689'}" + ] + }, + "execution_count": 23, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "cpid" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "def8818c", + "metadata": {}, + "outputs": [], + "source": [ + "inv_cpid = {}\n", + "for k, v in cpid.items():\n", + " inv_cpid[v] = inv_cpid.get(v, []) + [k]" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "ec0181c2", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "{'kegg:C00556': ['benzyl alcohol(aq)'],\n", + " 'kegg:C00003': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)'],\n", + " 'kegg:C00261': ['benzaldehyde(aq)'],\n", + " 'kegg:C00004': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'],\n", + " 'kegg:C06142': ['1-butanol(aq)'],\n", + " 'kegg:C01412': ['butanal(aq)'],\n", + " 'kegg:C00854': ['cyclohexanol(aq)'],\n", + " 'kegg:C00414': ['cyclohexanone(aq)'],\n", + " 'kegg:C00469': ['ethanol(aq)'],\n", + " 'kegg:C00084': ['acetaldehyde(aq)'],\n", + " 'COCO:COCOM00012': ['AP-NAD(aq)'],\n", + " 'COCO:COCOM00013': ['AP-NADH(aq)'],\n", + " 'kegg:C08492': ['cis-3-hexene-1-ol(aq)'],\n", + " 'kegg:C16310': ['cis-3-hexenal(aq)'],\n", + " 'kegg:C00756': ['1-octanol(aq)'],\n", + " 'kegg:C01545': ['octanal(aq)'],\n", + " 'kegg:C05979': ['1-propanol(aq)'],\n", + " 'kegg:C00479': ['propanal(aq)'],\n", + " 'kegg:C01845': ['2-propanol(aq)'],\n", + " 'kegg:C00207': ['acetone(aq)'],\n", + " 'kegg:C00473': ['vitamin A alcohol(aq)', 'retinol(aq)'],\n", + " 'kegg:C00376': ['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)'],\n", + " 'kegg:C00263': ['L-homoserine(aq)'],\n", + " 'kegg:C00441': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)'],\n", + " 'kegg:C00006': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)'],\n", + " 'kegg:C00005': ['NADPH(aq)', 'NADP(red)(aq)'],\n", + " 'kegg:C03044': ['(R,R)-2,3-butanediol(aq)'],\n", + " 'kegg:C00810': ['(R)-acetoin(aq)'],\n", + " 'kegg:C00116': ['glycerol(aq)'],\n", + " 'kegg:C00184': ['dihydroxyacetone(aq)'],\n", + " 'kegg:C00093': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate'],\n", + " 'kegg:C00111': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)'],\n", + " 'kegg:C01507': ['L-iditol(aq)'],\n", + " 'kegg:C00247': ['L-sorbose(aq)'],\n", + " 'kegg:C00474': ['ribitol(aq)'],\n", + " 'kegg:C00309': ['D-ribulose(aq)'],\n", + " 'kegg:C00794': ['D-sorbitol(aq)'],\n", + " 'kegg:C00095': ['D-fructose(aq)'],\n", + " 'kegg:C00379': ['xylitol(aq)'],\n", + " 'kegg:C00310': ['D-xylulose(aq)'],\n", + " 'kegg:C00312': ['L-xylulose(aq)'],\n", + " 'kegg:C01697': ['galactitol(aq)'],\n", + " 'kegg:C00795': ['D-tagatose(aq)'],\n", + " 'kegg:C00392': ['D-mannitol(aq)'],\n", + " 'kegg:C00644': ['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)'],\n", + " 'kegg:C00085': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate'],\n", + " 'kegg:C00181': ['D-xylose(aq)'],\n", + " 'kegg:C00296': ['quinate(aq)'],\n", + " 'kegg:C00944': ['5-dehydroquinate(aq)', '3-dehydroquinate(aq)'],\n", + " 'kegg:C00493': ['shikimate(aq)'],\n", + " 'kegg:C02637': ['3-dehydroshikimate(aq)'],\n", + " 'kegg:C00258': ['(R)-glycerate(aq)'],\n", + " 'kegg:C00168': ['hydroxypyruvate(aq)'],\n", + " 'kegg:C00160': ['glycolate(aq)'],\n", + " 'kegg:C00048': ['glyoxylate(aq)'],\n", + " 'kegg:C05984': ['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)'],\n", + " 'kegg:C00109': ['2-oxobutanoate(aq)'],\n", + " 'kegg:C00186': ['(S)-lactate(aq)'],\n", + " 'kegg:C00022': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)'],\n", + " 'kegg:C00256': ['(R)-lactate(aq)'],\n", + " 'kegg:C01089': ['(R)-3-hydroxybutanoate(aq)'],\n", + " 'kegg:C00164': ['3-oxobutanoate(aq)', 'acetoacetate(aq)'],\n", + " 'kegg:C01188': ['3-hydroxy-2-methylpropanoate(aq)'],\n", + " 'kegg:C00349': ['2-methyl-3-oxopropanoate(aq)'],\n", + " 'kegg:C01144': ['(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)'],\n", + " 'kegg:C00332': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)'],\n", + " 'kegg:C05268': ['(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)'],\n", + " 'kegg:C05269': ['3-oxohexanoyl-CoA(aq)'],\n", + " 'kegg:C00149': ['(S)-malate(aq)'],\n", + " 'kegg:C00036': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)'],\n", + " 'kegg:C00552': ['meso-tartrate(aq)'],\n", + " 'kegg:C00975': ['(E)-dihydroxyfumarate(aq)'],\n", + " 'kegg:C03459': ['2-oxo-3-hydroxysuccinate(aq)',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)'],\n", + " 'kegg:C00025': ['L-glutamate(aq)'],\n", + " 'kegg:C00049': ['L-aspartate(aq)'],\n", + " 'kegg:C00026': ['2-oxoglutarate(aq)'],\n", + " 'kegg:C00024': ['acetyl-CoA(aq)'],\n", + " 'kegg:C00001': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)'],\n", + " 'kegg:C00158': ['citrate(aq)'],\n", + " 'kegg:C00010': ['CoA(aq)'],\n", + " 'kegg:C00288': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2'],\n", + " 'kegg:C00311': ['isocitrate(aq)'],\n", + " 'kegg:C00345': ['6-phospho-D-gluconate(aq)'],\n", + " 'kegg:C00199': ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate'],\n", + " 'kegg:C00031': ['-D-glucose(aq)', 'D-glucose(aq)'],\n", + " 'kegg:C00198': ['D-glucono-1,5-lactone(aq)'],\n", + " 'kegg:C00124': ['D-galactose(aq)'],\n", + " 'kegg:C03383': ['D-galactono-1,4-lactone(aq)'],\n", + " 'kegg:C00092': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)'],\n", + " 'kegg:C01236': ['D-glucono-1,5-lactone 6-phosphate(aq)'],\n", + " 'kegg:C00535': ['4-androstene-17-ol-3-one(aq)'],\n", + " 'kegg:C00280': ['4-androstene-3,17-dione(aq)'],\n", + " 'kegg:C00583': ['1,2-propanediol(aq)'],\n", + " 'kegg:C00424': ['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)'],\n", + " 'kegg:C01013': ['3-hydroxypropanoate(aq)'],\n", + " 'kegg:C00222': ['3-oxopropanoate(aq)', '3-oxopropanoate'],\n", + " 'kegg:C01146': ['2-hydroxy-3-oxopropanoate(aq)'],\n", + " 'kegg:C00989': ['4-hydroxybutanoate(aq)'],\n", + " 'kegg:C00232': ['4-oxobutanoate(aq)'],\n", + " 'kegg:C00951': ['estradiol-17(aq)'],\n", + " 'kegg:C00468': ['estrone(aq)'],\n", + " 'kegg:C00577': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)'],\n", + " 'kegg:C00197': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)'],\n", + " 'kegg:C03232': ['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)'],\n", + " 'kegg:C04367': ['-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)'],\n", + " 'kegg:C01244': ['-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)'],\n", + " 'kegg:C03351': ['3-hydroxybenzyl alcohol(aq)'],\n", + " 'kegg:C03067': ['3-hydroxybenzaldehyde(aq)'],\n", + " 'kegg:C00318': ['L-carnitine(aq)'],\n", + " 'kegg:C02636': ['3-dehydrocarnitine(aq)'],\n", + " 'kegg:C02043': ['indole-3-lactate(aq)'],\n", + " 'kegg:C00331': ['indole-3-pyruvate(aq)'],\n", + " 'kegg:C00273': ['5-dehydro-D-fructose(aq)'],\n", + " 'kegg:C02782': ['2-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C03926': ['2-deoxy-3-dehydro-D-gluconate(aq)'],\n", + " 'kegg:C01620': ['L-threonate(aq)'],\n", + " 'kegg:C03064': ['3-oxo-L-threonate(aq)'],\n", + " 'kegg:C01096': ['D-sorbitol 6-phosphate(aq)'],\n", + " 'kegg:C04741': ['prostaglandin E1(aq)'],\n", + " 'kegg:C04654': ['15-oxo-prostaglandin E1(aq)'],\n", + " 'kegg:C02953': ['7,8-dihydrobiopterin(aq)'],\n", + " 'kegg:C00835': ['sepiapterin(aq)'],\n", + " 'kegg:C00590': ['coniferyl alcohol(aq)'],\n", + " 'kegg:C02666': ['coniferyl aldehyde(aq)'],\n", + " 'kegg:C01087': ['(R)-2-hydroxyglutarate(aq)'],\n", + " 'kegg:C00257': ['D-gluconate(aq)'],\n", + " 'kegg:C06473': ['2-oxo-D-gluconate(aq)'],\n", + " 'kegg:C00243': ['lactose(aq)'],\n", + " '4 kegg:C00125': ['cytochrome c(aq)'],\n", + " 'kegg:C05403': ['3-oxolactose(aq)'],\n", + " '4 kegg:C00126': ['reduced cytochrome c(aq)'],\n", + " 'kegg:C00058': ['formate(aq)'],\n", + " 'kegg:C00009': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)'],\n", + " 'kegg:C03082': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)'],\n", + " 'kegg:C00118': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)'],\n", + " 'kegg:C00236': ['3-phospho-D-glyceroyl phosphate(aq)'],\n", + " 'kegg:C00008': ['ADP(aq)', 'ADP-3-(aq)'],\n", + " 'kegg:C00002': ['ATP(aq)', 'ATP', 'ATP-4-(aq)'],\n", + " 'kegg:C00313': ['oxalyl-CoA(aq)'],\n", + " 'kegg:C00042': ['succinate(aq)'],\n", + " 'kegg:C00007': ['O2(aq)', 'O2'],\n", + " 'kegg:C00122': ['fumarate(aq)', 'Fumarate'],\n", + " 'kegg:C00337': ['(S)-dihydroorotate(aq)'],\n", + " 'kegg:C00295': ['orotate(aq)'],\n", + " 'kegg:C00041': ['L-alanine(aq)', 'L-alanine'],\n", + " 'kegg:C00014': ['ammonia(aq)', 'NH3(aq)'],\n", + " 'kegg:C00123': ['L-leucine(aq)'],\n", + " 'kegg:C00233': ['4-methyl-2-oxopentanoate(aq)',\n", + " '4-methyl-2-oxopentanooate(aq)',\n", + " '2-oxoisocaproate(aq)'],\n", + " 'kegg:C01186': ['L-erythro-3,5-diaminohexanoate(aq)'],\n", + " 'kegg:C03656': ['(S)-5-amino-3-oxohexanoate(aq)'],\n", + " 'kegg:C03943': ['2,4-diaminopentanoate(aq)',\n", + " 'D-threo-2,4-diaminopentanoate(aq)'],\n", + " 'kegg:C03341': ['2-amino-4-oxopentanoate(aq)'],\n", + " 'kegg:C00148': ['(S)-proline(aq)'],\n", + " 'kegg:C03564': ['D-1-pyrroline-2-carboxylate(aq)'],\n", + " 'kegg:C03912': ['D-1-pyrroline-5-carboxylate(aq)',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)'],\n", + " 'kegg:C00415': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)'],\n", + " 'kegg:C00504': ['folate(aq)'],\n", + " 'kegg:C00101': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate'],\n", + " 'kegg:C00143': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)'],\n", + " 'kegg:C00445': ['5,10-methenyltetrahydrofolate(aq)'],\n", + " 'kegg:C04137': ['N-2-(D-1-carboxyethyl)-L-arginine(aq)'],\n", + " 'kegg:C00062': ['L-arginine(aq)'],\n", + " 'kegg:C03210': [\"2,2'-iminodipropanoate(aq)\"],\n", + " 'kegg:C00408': ['L-pipecolate(aq)'],\n", + " 'kegg:C04092': ['D-1-piperidine-2-carboxylate(aq)'],\n", + " '2 kegg:C00051': ['reduced glutathione(aq)', 'glutathoine(red)(aq)'],\n", + " 'kegg:C00127': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)'],\n", + " 'kegg:C00342': ['reduced thioredoxin(aq)'],\n", + " 'kegg:C00343': ['oxidized thioredoxin(aq)'],\n", + " 'kegg:C00440': ['5-methyltetrahydrofolate(aq)'],\n", + " 'kegg:C00016': ['flavin-adenine dinucleotide(aq)'],\n", + " 'kegg:C01352': ['reduced flavin-adenine dinucleotide(aq)'],\n", + " 'kegg:C00579': ['dihydrolipoamide(aq)'],\n", + " 'kegg:C00248': ['lipoamide(aq)'],\n", + " 'kegg:C02147': ['dihydro--lipoate(aq)'],\n", + " 'kegg:C00725': ['-lipoate(aq)', 'lipoate(aq)'],\n", + " 'kegg:C00920': ['CoA-glutathione(aq)'],\n", + " 'kegg:C00282': ['H2(aq)'],\n", + " 'kegg:C00719': ['betaine(aq)'],\n", + " 'kegg:C00155': ['L-homocysteine(aq)'],\n", + " 'kegg:C01026': ['N,N-dimethylglycine(aq)'],\n", + " 'kegg:C00073': ['L-methionine(aq)'],\n", + " 'kegg:C03392': ['dimethylacetothetin(aq)'],\n", + " 'kegg:C03173': ['S-methylthioglycolate(aq)'],\n", + " 'kegg:C01008': ['trimethylsulfonium(aq)'],\n", + " 'kegg:C00580': ['dimethylsulfide(aq)'],\n", + " 'kegg:C00019': ['S-adenosyl-L-methionine(aq)'],\n", + " 'kegg:C00021': ['S-adenosyl-L-homocysteine(aq)'],\n", + " 'kegg:C00365': ['dUMP(aq)'],\n", + " 'kegg:C00364': ['dTMP(aq)'],\n", + " 'kegg:C00037': ['glycine(aq)'],\n", + " 'kegg:C00188': ['L-threonine(aq)'],\n", + " 'kegg:C00067': ['formaldehyde(aq)', 'Formaldehyde'],\n", + " 'kegg:C00065': ['L-serine(aq)'],\n", + " 'kegg:C00664': ['5-formiminotetrahydrofolate(aq)'],\n", + " 'kegg:C02718': ['N-formiminoglycine(aq)'],\n", + " 'kegg:C00439': ['N-formimino-L-glutamate(aq)'],\n", + " 'kegg:C03059': ['2-hydroxymethylserine(aq)'],\n", + " 'kegg:C00740': ['D-serine(aq)'],\n", + " 'kegg:C02115': ['2-methylserine(aq)'],\n", + " 'kegg:C00133': ['D-alanine(aq)'],\n", + " 'kegg:C00100': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)'],\n", + " 'kegg:C02557': ['methylmalonyl-CoA(aq)'],\n", + " 'kegg:C00169': ['carbamoyl phosphate(aq)'],\n", + " 'kegg:C00077': ['L-ornithine(aq)'],\n", + " 'kegg:C00327': ['L-citrulline(aq)'],\n", + " 'kegg:C00581': ['guanidinoacetate(aq)'],\n", + " 'kegg:C00279': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)'],\n", + " 'kegg:C00231': ['D-xylulose 5-phosphate(aq)'],\n", + " 'kegg:C00266': ['glycolaldehyde(aq)'],\n", + " 'kegg:C02045': ['L-erythrulose(aq)'],\n", + " 'kegg:C05382': ['sedoheptulose 7-phosphate(aq)'],\n", + " 'kegg:C00117': ['D-ribose 5-phosphate(aq)'],\n", + " 'kegg:C00227': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)'],\n", + " 'kegg:C01589': ['imidazole(aq)'],\n", + " 'kegg:C02560': ['N-acetylimidazole(aq)'],\n", + " 'kegg:C00114': ['choline(aq)'],\n", + " 'kegg:C01996': ['O-acetylcholine(aq)', 'acetylcholine(aq)'],\n", + " 'kegg:C02571': ['L-acetylcarnitine(aq)'],\n", + " 'kegg:C03017': ['L-propionylcarnitine(aq)'],\n", + " 'kegg:C00798': ['formyl-CoA(aq)'],\n", + " 'kegg:C02405': ['formyl phosphate(aq)'],\n", + " 'kegg:C00033': ['acetate(aq)', 'acetate-(aq)'],\n", + " 'kegg:C00154': ['palmitoyl-CoA(aq)'],\n", + " 'kegg:C02990': ['L-palmitoylcarnitine(aq)'],\n", + " 'kegg:C00437': ['N-2-acetyl-L-ornithine(aq)'],\n", + " 'kegg:C00624': ['N-acetyl-L-glutamate(aq)'],\n", + " 'kegg:C00229': ['acyl-carrier protein(aq)'],\n", + " 'kegg:C03939': ['acetyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00083': ['malonyl-CoA(aq)'],\n", + " 'kegg:C01209': ['malonyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00089': ['sucrose(aq)'],\n", + " 'kegg:C00103': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)'],\n", + " 'kegg:C00208': ['maltose(aq)'],\n", + " 'kegg:C00498': ['ADPglucose(aq)'],\n", + " 'kegg:C00029': ['UDPglucose(aq)', 'UDP-glucose'],\n", + " '2 kegg:C00015': ['UDP(aq)'],\n", + " 'kegg:C16688': ['sucrose 6-phosphate(aq)'],\n", + " 'kegg:C00015': ['UDP'],\n", + " 'kegg:C00689': [\"alpha,alpha'-trehalose 6-phosphate\",\n", + " ',-trehalose 6-phosphate(aq)'],\n", + " 'kegg:C00185': ['cellobiose(aq)'],\n", + " 'kegg:C06219': ['cellotriose(aq)'],\n", + " 'kegg:C02048': ['laminaribiose(aq)'],\n", + " 'kegg:C01083': [',-trehalose(aq)'],\n", + " 'kegg:C01235': ['1--D-galactosyl-myo-inositol(aq)'],\n", + " 'kegg:C00492': ['raffinose(aq)'],\n", + " 'kegg:C00137': ['myo-inositol(aq)'],\n", + " 'kegg:C01613': ['stachyose(aq)'],\n", + " 'kegg:C00482': ['sinapate(aq)'],\n", + " 'kegg:C01175': ['1-sinapoyl-D-glucose(aq)'],\n", + " 'kegg:C00212': ['adenosine(aq)'],\n", + " 'kegg:C00147': ['adenine(aq)'],\n", + " 'kegg:C00620': ['D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C05512': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"],\n", + " 'kegg:C00262': ['hypoxanthine(aq)'],\n", + " 'kegg:C00672': ['2-deoxy--D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C00387': ['guanosine(aq)'],\n", + " 'kegg:C00242': ['guanine(aq)'],\n", + " 'kegg:C00294': ['inosine(aq)'],\n", + " 'kegg:C00153': ['nicotinamide(aq)'],\n", + " 'kegg:C03150': ['nicotinamide riboside(aq)'],\n", + " 'kegg:C01762': ['xanthosine(aq)'],\n", + " 'kegg:C00385': ['xanthine(aq)'],\n", + " 'kegg:C00299': ['uridine(aq)'],\n", + " 'kegg:C00106': ['uracil(aq)'],\n", + " 'kegg:C00214': ['thymidine(aq)'],\n", + " 'kegg:C00559': [\"2'-deoxyadenosine(aq)\"],\n", + " 'kegg:C00178': ['thymine(aq)'],\n", + " 'kegg:C00119': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)'],\n", + " 'kegg:C00020': ['AMP(aq)', 'AMP-2--(aq)', 'AMP'],\n", + " 'kegg:C00013': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate'],\n", + " 'kegg:C00144': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"],\n", + " 'kegg:C00130': ['IMP(aq)'],\n", + " 'kegg:C01103': [\"orotidine 5'-phosphate(aq)\", \"orotidine 5 '-phosphate(aq)\"],\n", + " 'kegg:C04752': ['2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq)'],\n", + " 'kegg:C04327': ['4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq)'],\n", + " 'kegg:C01081': ['thiamine monophosphate(aq)'],\n", + " 'kegg:C19838': ['erythro-3-hydroxyaspartate(aq)'],\n", + " 'kegg:C01100': ['L-histidinol phosphate(aq)'],\n", + " 'kegg:C01267': ['3-(imidazol-4-yl)-2-oxopropyl phosphate(aq)'],\n", + " 'kegg:C00064': ['L-glutamine(aq)'],\n", + " 'kegg:C00940': ['2-oxoglutaramate(aq)'],\n", + " 'kegg:C04462': ['N-succinyl-2-L-amino-6-oxoheptanedioate(aq)'],\n", + " 'kegg:C04421': ['N-succinyl-L-2,6-diaminoheptanedioate(aq)'],\n", + " 'kegg:C00099': ['beta-alanine'],\n", + " 'kegg:C00334': ['4-aminobutanoate(aq)'],\n", + " 'kegg:C00217': ['D-glutamate(aq)'],\n", + " 'kegg:C00534': ['pyridoxamine(aq)'],\n", + " 'kegg:C00250': ['pyridoxal(aq)'],\n", + " 'kegg:C04268': ['dTDP-4-amino-4,6-dideoxy-D-glucose(aq)'],\n", + " 'kegg:C11907': ['dTDP-4-dehydro-6-deoxy-D-glucose(aq)'],\n", + " 'kegg:C00956': ['L-2-aminoadipate(aq)'],\n", + " 'kegg:C00322': ['2-oxoadipate(aq)'],\n", + " 'kegg:C01005': ['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)'],\n", + " 'kegg:C00159': ['D-mannose(aq)'],\n", + " 'kegg:C00275': ['D-mannose 6-phosphate(aq)'],\n", + " 'kegg:C03384': ['D-galactose 1-phosphate(aq)',\n", + " '-D-galactose 1-phosphate(aq)'],\n", + " 'kegg:C00354': ['D-fructose 1,6-bisphosphate(aq)'],\n", + " 'kegg:C00882': [\"3'-dephospho-CoA(aq)\"],\n", + " 'kegg:C00074': ['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)'],\n", + " 'kegg:C01194': ['1-phosphatidyl-1D-myo-inositol(aq)'],\n", + " 'kegg:C01277': ['1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)'],\n", + " 'kegg:C01563': ['ammonium carbamate(aq)', 'carbamate(aq)'],\n", + " 'kegg:C03166': ['phosphoguanidinoacetate(aq)'],\n", + " 'kegg:C00300': ['creatine(aq)'],\n", + " 'kegg:C02305': ['phosphocreatine(aq)'],\n", + " 'kegg:C05945': ['N-w-phospho-L-arginine(aq)',\n", + " 'Nomega-phospho-L-arginine(aq)'],\n", + " 'kegg:C01959': ['taurocyamine(aq)'],\n", + " 'kegg:C03149': ['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)'],\n", + " 'kegg:C14177': ['lombricine(aq)'],\n", + " 'kegg:C14178': ['N-w-phospholombricine(aq)'],\n", + " 'kegg:C01107': ['(R)-5-phosphomevalonate(aq)'],\n", + " 'kegg:C01143': ['(R)-5-diphosphomevalonate(aq)'],\n", + " '2 kegg:C00206': ['dADP(aq)'],\n", + " 'kegg:C00360': ['dAMP(aq)', \"2'-deoxyadenosine 5'-monophosphate(aq)\"],\n", + " 'kegg:C00131': ['dATP(aq)'],\n", + " 'kegg:C03483': [\"adenosine 5'-tetraphosphate(aq)\"],\n", + " 'kegg:C00075': ['UTP(aq)'],\n", + " 'kegg:C00105': ['UMP(aq)'],\n", + " 'kegg:C00104': [\"inosine 5'-diphosphate(aq)\", 'IDP(aq)'],\n", + " 'kegg:C00081': [\"inosine 5'-triphosphate(aq)\", 'ITP(aq)'],\n", + " 'kegg:C00035': ['GDP(aq)'],\n", + " 'kegg:C00044': ['GTP(aq)'],\n", + " 'kegg:C00362': ['dGMP(aq)'],\n", + " 'kegg:C00361': ['dGDP(aq)'],\n", + " 'kegg:C00363': ['dTDP(aq)'],\n", + " 'kegg:C00055': ['CMP(aq)'],\n", + " 'kegg:C00112': ['CDP(aq)'],\n", + " 'kegg:C00239': ['dCMP(aq)'],\n", + " 'kegg:C00705': ['dCDP(aq)'],\n", + " 'kegg:C00455': ['beta-Nicotinamide mononucleotide',\n", + " '-nicotinamide mononucleotide(aq)'],\n", + " 'kegg:C00059': ['sulfate(aq)'],\n", + " 'kegg:C00224': [\"adenosine 5'-phosphosulfate(aq)\",\n", + " 'adenylyl sulfate(aq)',\n", + " 'adenylylsulfate(aq)'],\n", + " 'kegg:C00052': ['UDPgalactose(aq)'],\n", + " 'kegg:C00636': ['D-mannose 1-phosphate(aq)'],\n", + " 'kegg:C00096': ['GDPmannose(aq)'],\n", + " 'kegg:C00063': ['CTP(aq)'],\n", + " 'kegg:C00346': ['O-phosphorylethanolamine(aq)'],\n", + " 'kegg:C00570': ['CDPethanolamine(aq)'],\n", + " 'kegg:C00588': ['phosphorylcholine(aq)'],\n", + " 'kegg:C00307': ['CDPcholine(aq)'],\n", + " 'kegg:C04256': ['N-acetyl--D-glucosamine 1-phosphate(aq)',\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq)'],\n", + " 'kegg:C00043': ['UDP-N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C00459': ['dTTP(aq)'],\n", + " 'kegg:C00842': ['dTDPglucose(aq)'],\n", + " 'kegg:C00501': ['CDPglucose(aq)'],\n", + " 'kegg:C00394': ['GDPglucose(aq)'],\n", + " 'kegg:C01281': ['[L-glutamate:ammonia ligase(ADP-forming)](aq)'],\n", + " 'kegg:C01299': ['adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)'],\n", + " 'kegg:C05385': ['1-phospho--D-glucuronate(aq)'],\n", + " 'kegg:C00167': ['UDP-D-glucuronate(aq)'],\n", + " 'kegg:C00091': ['succinyl-CoA(aq)'],\n", + " 'kegg:C02588': ['retinyl palmitate(aq)'],\n", + " 'kegg:C00249': ['palmitate(aq)', 'palmitic acid(aq)'],\n", + " 'kegg:C01094': ['D-fructose 1-phosphate(aq)'],\n", + " 'kegg:C01113': ['D-galactose 6-phosphate(aq)'],\n", + " 'kegg:C03360': ['4-nitrophenyl phosphate(aq)'],\n", + " 'kegg:C00870': ['4-nitrophenol(aq)'],\n", + " 'kegg:C02734': ['phenyl phosphate(aq)'],\n", + " 'kegg:C00146': ['phenol(aq)'],\n", + " 'kegg:C00121': ['D-ribose(aq)'],\n", + " 'kegg:C00575': [\"adenosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C00968': [\"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C00942': [\"guanosine 3':5'-(cyclic)phosphate(aq)\",\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq)\"],\n", + " 'kegg:C00943': [\"inosine 3':5'-(cyclic)phosphate(aq)\"],\n", + " 'kegg:C01367': [\"adenosine 3'-monophosphate(aq)\"],\n", + " 'kegg:C02052': ['maltotetraose(aq)'],\n", + " 'kegg:C00252': ['isomaltose(aq)', '-isomaltose(aq)'],\n", + " 'kegg:C02160': ['isomaltotriose(aq)'],\n", + " 'kegg:C01936': ['maltohexaose(aq)'],\n", + " 'kegg:C01835': ['maltotriose(aq)'],\n", + " 'kegg:C00713': ['panose(aq)'],\n", + " 'kegg:C01742': ['palatinose(aq)'],\n", + " 'kegg:C19636': ['D-turanose(aq)'],\n", + " 'kegg:C08240': ['-gentiobiose(aq)'],\n", + " 'kegg:C05402': ['-D-melibiose(aq)'],\n", + " 'kegg:C07064': ['lactulose(aq)'],\n", + " 'kegg:C01882': ['ADPribose(aq)'],\n", + " 'kegg:C00152': ['L-asparagine(aq)'],\n", + " 'kegg:C00086': ['urea(aq)'],\n", + " 'kegg:C07761': ['cephalothin(aq)'],\n", + " 'kegg:C02595': ['2-thienylacetic acid(aq)'],\n", + " 'kegg:C07756': ['7-aminocephalosporanic acid(aq)'],\n", + " 'kegg:C05551': ['penicillin G(aq)', 'penicillin G-(aq)'],\n", + " 'kegg:C02954': ['6-aminopenicillanic acid(aq)',\n", + " '6-aminopenicillanic acid-(aq)',\n", + " '6-aminopenicillanate-(aq)'],\n", + " 'kegg:C07086': ['phenylacetic acid(aq)'],\n", + " 'kegg:C08126': ['phenoxymethylpenicillin-(aq)'],\n", + " 'kegg:C02181': ['phenoxyacetate(aq)'],\n", + " 'kegg:C05598': ['phenylacetylglycine(aq)'],\n", + " 'kegg:C02712': ['N-acetyl-L-methionine(aq)'],\n", + " 'kegg:C00864': ['pantothenate'],\n", + " 'kegg:C00522': ['pantoic acid', '(R)-pantoate(aq)'],\n", + " 'kegg:C00438': ['N-carbamoyl-L-aspartate(aq)'],\n", + " 'kegg:C03703': ['L-5-carboxymethylhydantoin(aq)'],\n", + " 'kegg:C06567': ['penicillinoic acid(aq)'],\n", + " 'kegg:C00499': ['allantoate(aq)'],\n", + " 'kegg:C00603': ['(-)-ureidoglycolate(aq)'],\n", + " 'kegg:C00475': ['cytidine(aq)'],\n", + " 'kegg:C00234': ['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate'],\n", + " 'kegg:C02466': ['trimetaphosphate(aq)'],\n", + " 'kegg:C00536': ['triphosphate(aq)'],\n", + " 'kegg:C01182': ['D-ribulose 1,5-biphosphate(aq)',\n", + " 'D-ribulose 1,5-bisphosphate(aq)'],\n", + " 'kegg:C03394': ['erythrulose 1-phosphate(aq)'],\n", + " 'kegg:C00673': ['2-deoxy-D-ribose 5-phosphate(aq)'],\n", + " 'kegg:C04442': ['6-phospho-2-dehydro-3-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C01099': ['L-fuculose 1-phosphate(aq)'],\n", + " 'kegg:C06159': ['2-dehydro-3-deoxy-D-fuconate(aq)'],\n", + " 'kegg:C00684': ['2-dehydro-3-deoxy-L-pentonate(aq)'],\n", + " 'kegg:C01131': ['L-rhamnulose 1-phosphate(aq)'],\n", + " 'kegg:C01286': ['2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq)'],\n", + " 'kegg:C06019': ['D-arabino-3-hexulose 6-phosphate(aq)',\n", + " 'D-arabino-Hex-3-ulose 6-phosphate'],\n", + " 'kegg:C00270': ['N-acetylneuraminate(aq)'],\n", + " 'kegg:C00645': ['N-acetyl-D-mannosamine(aq)'],\n", + " 'kegg:C01127': ['4-hydroxy-2-oxoglutarate(aq)'],\n", + " 'kegg:C02614': ['(S)-2-methylmalate(aq)'],\n", + " 'kegg:C04348': ['(R,S)-malyl-CoA(aq)'],\n", + " 'kegg:C03652': ['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)'],\n", + " 'kegg:C00163': ['propanoate(aq)'],\n", + " 'kegg:C00078': ['L-tryptophan(aq)'],\n", + " 'kegg:C00463': ['indole(aq)'],\n", + " 'kegg:C00417': ['cis-aconitate(aq)'],\n", + " 'kegg:C00631': ['2-phospho-D-glycerate(aq)'],\n", + " 'kegg:C03561': ['(3R)-3-hydroxybutanoyl-CoA(aq)'],\n", + " 'kegg:C00877': ['cis-but-2-enoyl-CoA(aq)',\n", + " 'trans-but-2-enoyl-CoA(aq)',\n", + " 'trans-but-2-enoyl-coenzyme A'],\n", + " 'kegg:C05271': ['trans-hex-2-enoyl-CoA(aq)'],\n", + " 'kegg:C03506': ['1-(indol-3-yl)glycerol 3-phosphate(aq)'],\n", + " 'kegg:C00497': ['(R)-malate(aq)'],\n", + " 'kegg:C01384': ['maleate(aq)'],\n", + " 'kegg:C01732': ['2-methylfumarate(aq)'],\n", + " 'kegg:C02612': ['(R)-2-methylmalate(aq)'],\n", + " 'kegg:C02226': ['2-methylmaleate(aq)'],\n", + " 'kegg:C02237': ['5-oxo-D-proline(aq)'],\n", + " 'kegg:C00785': ['urocanate(aq)'],\n", + " 'kegg:C03680': ['4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)'],\n", + " 'kegg:C04618': ['(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C04246': ['cis-but-2-enoyl-[acyl-carrier protein](aq)'],\n", + " 'kegg:C00922': ['dimethylmaleate(aq)'],\n", + " 'kegg:C03618': ['L-threo-3-methylaspartate(aq)'],\n", + " 'kegg:C00135': ['L-histidine(aq)'],\n", + " 'kegg:C00079': ['L-phenylalanine(aq)'],\n", + " 'kegg:C00423': ['trans-cinnamate(aq)'],\n", + " 'kegg:C03406': ['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)'],\n", + " 'kegg:C03794': ['adenylosuccinate(aq)'],\n", + " 'kegg:C04823': [\"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole\"],\n", + " 'kegg:C04677': [\"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\"],\n", + " 'kegg:C03451': ['(R)-S-lactoylglutathione(aq)'],\n", + " 'kegg:C00051': ['glutathione (reduced)(aq)'],\n", + " 'kegg:C00546': ['methylglyoxal(aq)'],\n", + " 'kegg:C00047': ['L-lysine(aq)'],\n", + " 'kegg:C00739': ['D-lysine(aq)'],\n", + " 'kegg:C00666': ['L,L-2,6-diaminoheptanedioate(aq)'],\n", + " 'kegg:C00680': ['meso-diaminoheptanedioate(aq)'],\n", + " 'kegg:C01157': ['trans-4-hydroxy-L-proline(aq)'],\n", + " 'kegg:C03440': ['cis-4-hydroxy-D-proline(aq)'],\n", + " 'kegg:C01570': ['D-leucine(aq)'],\n", + " 'kegg:C01101': ['L-ribulose 5-phosphate(aq)'],\n", + " 'kegg:C00935': ['UDP-L-arabinose(aq)'],\n", + " 'kegg:C00190': ['UDP-D-xylose(aq)'],\n", + " 'kegg:C00617': ['UDP-D-galacturonate(aq)'],\n", + " 'kegg:C00140': ['N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C00357': ['N-acetyl-D-glucosamine 6-phosphate(aq)'],\n", + " 'kegg:C04257': ['N-acetyl-D-mannosamine 6-phosphate(aq)'],\n", + " 'kegg:C03598': ['CDP-3,6-dideoxy-D-glucose(aq)'],\n", + " 'kegg:C03599': ['CDP-3,6-dideoxy-D-mannose(aq)'],\n", + " 'kegg:C00668': ['alpha-D-Glucose 6-phosphate(aq)'],\n", + " 'kegg:C01172': ['beta-D-Glucose 6-phosphate(aq)'],\n", + " 'kegg:C02280': ['GDP-L-galactose(aq)'],\n", + " 'kegg:C01213': ['(R)-methylmalonyl-CoA(aq)'],\n", + " 'kegg:C00683': ['(S)-methylmalonyl-CoA(aq)'],\n", + " 'kegg:C02110': ['11-cis-retinal(aq)'],\n", + " 'kegg:C01595': ['9-cis,12-cis-octadecadienoate(aq)'],\n", + " 'kegg:C04056': ['9-cis,11-trans-octadecadienoate(aq)'],\n", + " 'kegg:C01796': ['D-erythrose(aq)'],\n", + " 'kegg:C02022': ['D-erythrulose(aq)'],\n", + " 'kegg:C00216': ['D-arabinose(aq)'],\n", + " 'kegg:C01019': ['L-fucose(aq)'],\n", + " 'kegg:C01721': ['L-fuculose(aq)'],\n", + " 'kegg:C00259': ['L-arabinose(aq)'],\n", + " 'kegg:C00508': ['L-ribulose(aq)'],\n", + " 'kegg:C06468': ['D-psicose(aq)'],\n", + " 'kegg:C01487': ['-D-allose(aq)'],\n", + " 'kegg:C06464': ['D-altrose(aq)'],\n", + " 'kegg:C00476': ['D-lyxose(aq)'],\n", + " 'kegg:C00352': ['D-glucosamine 6-phosphate(aq)'],\n", + " 'kegg:C00333': ['D-galacturonate(aq)'],\n", + " 'kegg:C00558': ['D-tagaturonate(aq)'],\n", + " 'kegg:C00191': ['D-glucuronate(aq)'],\n", + " 'kegg:C00905': ['D-fructuronate(aq)'],\n", + " 'kegg:C01112': ['D-arabinose 5-phosphate(aq)'],\n", + " 'kegg:C00507': ['L-rhamnose(aq)'],\n", + " 'kegg:C00861': ['L-rhamnulose(aq)'],\n", + " 'kegg:C00166': ['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)'],\n", + " 'kegg:C02763': ['enol-phenylpyruvate(aq)'],\n", + " 'kegg:C03981': ['enol-oxaloacetate(aq)'],\n", + " 'kegg:C00129': ['isopentenyl diphosphate(aq)'],\n", + " 'kegg:C00235': ['dimethylallyl diphosphate(aq)'],\n", + " 'kegg:C02295': ['methylitaconate(aq)'],\n", + " 'kegg:C06156': ['D-glucosamine 1-phosphate(aq)'],\n", + " 'kegg:C01231': ['D-glucose 1,6-diphosphate(aq)'],\n", + " 'kegg:C01142': ['(3S)-3,6-diaminohexanoate(aq)'],\n", + " 'kegg:C00515': ['D-ornithine(aq)'],\n", + " 'kegg:C02930': ['2-methyleneglutarate(aq)'],\n", + " 'kegg:C04105': ['2,5-dihydro-5-oxofuran-2-acetate(aq)'],\n", + " 'kegg:C02480': ['cis-cis-hexadienedioate(aq)'],\n", + " 'kegg:C03178': ['tetrahydroxypteridine(aq)'],\n", + " 'kegg:C03314': ['xanthine-8-carboxylate(aq)'],\n", + " 'kegg:C00183': ['L-valine', 'L-valine(aq)'],\n", + " 'kegg:C01653': ['tRNA(Val)'],\n", + " 'kegg:C02554': ['L-Valyl-tRNA(Val)'],\n", + " 'kegg:C01904': ['D-arabitol(aq)'],\n", + " 'kegg:C15025': ['D-carnitine(aq)'],\n", + " 'kegg:C00584': ['prostaglandin E2(aq)'],\n", + " 'kegg:C04707': ['15-oxo-prostaglandin E2(aq)'],\n", + " 'kegg:C00027': ['H2O2(aq)', 'H2O2'],\n", + " 'kegg:C00187': ['cholesterol(aq)'],\n", + " 'kegg:C00599': ['cholest-4-en-3-one(aq)'],\n", + " '0.5 kegg:C00007': ['1/2 O2(aq)'],\n", + " 'kegg:C00254': ['prephenate(aq)'],\n", + " 'kegg:C01179': ['4-hydroxyphenylpyruvate(aq)'],\n", + " 'metanetx.chemical:MNXM39260': ['S-aminomethyldihydro--lipoate(aq)'],\n", + " 'kegg:C00366': ['urate(aq)'],\n", + " 'kegg:C01551': ['allantoin(aq)'],\n", + " 'kegg:C02278': ['dodecanal(aq)'],\n", + " 'kegg:C01847': ['FMN(reduced)'],\n", + " 'kegg:C02679': ['dodecanoic acid(aq)'],\n", + " 'kegg:C00061': ['FMN(oxidized)'],\n", + " 'kegg:C00808': ['(+)-camphor(aq)'],\n", + " 'kegg:C03448': ['(+)-5-exo-hydroxycamphor(aq)'],\n", + " 'kegg:C04377': ['CH2-H4PteGlu4(aq)'],\n", + " 'kegg:C01217': ['H4PteGlu4(aq)'],\n", + " 'kegg:C00979': ['O-acetyl-L-serine(aq)'],\n", + " 'kegg:C00082': ['L-tyrosine(aq)'],\n", + " 'kegg:C05665': ['3-aminopropionaldehyde(aq)'],\n", + " 'kegg:C00986': ['1,3-diaminopropane(aq)'],\n", + " 'kegg:C06827': ['amoxicillin(aq)'],\n", + " 'kegg:C03493': ['D-4-hydroxyphenylglycine(aq)',\n", + " 'D-(4-hydroxyphenyl)glycine(aq)'],\n", + " 'kegg:C03410': ['N-glycolylneuraminate(aq)'],\n", + " 'kegg:C03521': ['N-glycolyl-D-mannosamine(aq)'],\n", + " 'kegg:C00251': ['chorismate(aq)'],\n", + " 'kegg:C00156': ['4-hydroxybenzoate(aq)'],\n", + " 'kegg:C06322': ['cyclohexa-1,5-diene-1-carboxyl-CoA(aq)'],\n", + " 'kegg:C06749': ['6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)'],\n", + " 'kegg:C11355': ['4-amino-4-deoxychorismate(aq)'],\n", + " 'kegg:C00885': ['isochorismate(aq)'],\n", + " 'kegg:C18054': ['2-amino-2-deoxyisochorismate(aq)'],\n", + " 'kegg:C00314': ['pyridoxine(aq)'],\n", + " 'kegg:C05662': ['(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)'],\n", + " 'kegg:C00966': ['2-dehydropantoate(aq)'],\n", + " 'kegg:C15673': ['2-keto-L-gulonate(aq)'],\n", + " 'kegg:C02780': ['2,5-diketo-D-gluconate(aq)'],\n", + " 'kegg:C00449': ['N6-(L-1,3-dicarboxypropyl)-L-lysine'],\n", + " '2 kegg:C00704': ['O2-'],\n", + " 'kegg:C04688': ['(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq)'],\n", + " 'kegg:C03688': ['acyl-carrier-protein(aq)'],\n", + " 'kegg:C04738': ['UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)'],\n", + " 'kegg:C06021': ['corrinoid protein(aq)'],\n", + " 'kegg:C00237': ['carbon monoxide(aq)'],\n", + " 'kegg:C06020': ['methylcorrinoid protein(aq)'],\n", + " 'kegg:C01185': ['Nicotinate D-ribonucleotide(aq)'],\n", + " 'kegg:C00253': ['nicotinic acid(aq)'],\n", + " 'kegg:C00170': [\"'-methylthioadenosine(aq)\"],\n", + " 'kegg:C04188': ['5-methylthio-D-ribose 1-phosphate(aq)'],\n", + " 'kegg:C03557': ['(2-aminoethyl)phosphonate(aq)'],\n", + " 'kegg:C03167': ['2-phosphonoacetaldehyde(aq)'],\n", + " 'kegg:C06255': ['2-oxovalerate(aq)'],\n", + " 'kegg:C01003': ['myosin light chain(aq)'],\n", + " 'kegg:C03875': ['myosin light chain phosphate(aq)'],\n", + " 'kegg:C03519': ['N-acetyl-L-phenylalanine(aq)'],\n", + " 'kegg:C11695': ['anandamide(aq)'],\n", + " 'kegg:C00189': ['ethanolamine(aq)'],\n", + " 'kegg:C00219': ['arachidonic acid(aq)'],\n", + " 'kegg:C16512': ['palmitoylethanolamide(aq)'],\n", + " 'kegg:C00429': ['5,6-dihydrouracil(aq)'],\n", + " 'kegg:C02642': ['3-ureidopropanoic acid(aq)'],\n", + " 'kegg:C05922': ['((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)'],\n", + " 'kegg:C09814': ['benzonitrile(aq)'],\n", + " '2 kegg:C00001': ['H2O(aq)'],\n", + " 'kegg:C00180': ['benzoic acid(aq)'],\n", + " 'kegg:C16074': ['benzyl cyanide(aq)'],\n", + " 'kegg:C02938': ['3-indoleacetonitrile(aq)'],\n", + " 'kegg:C00954': ['indole-3-acetic acid(aq)'],\n", + " 'kegg:C04691': ['2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq)'],\n", + " 'kegg:C00204': ['2-oxo-3-deoxy-D-gluconate(aq)'],\n", + " 'kegg:C00108': ['anthranilate(aq)'],\n", + " 'kegg:C04114': ['4-(trimethylammonio)but-2-enoate(aq)'],\n", + " 'kegg:C00203': ['UDP-N-acetyl-D-galactosamine(aq)'],\n", + " 'kegg:C06463': ['D-threose(aq)'],\n", + " 'kegg:C05439': ['(3,5)-cholesta-7,24-diene-3-ol(aq)'],\n", + " 'kegg:C05437': ['(3,5)-cholesta-8,24-diene-3-ol(aq)'],\n", + " 'kegg:C02798': ['3-phosphonopyruvate(aq)'],\n", + " 'kegg:C00787': ['tRNA-Tyr(aq)'],\n", + " 'kegg:C02839': ['L-tyrosyl-tRNA-Tyr(aq)'],\n", + " 'kegg:C01651': ['tRNA-Thr(aq)'],\n", + " 'kegg:C02992': ['L-threonyl-tRNA-Thr(aq)'],\n", + " 'kegg:C00407': ['L-isoleusine(aq)'],\n", + " 'kegg:C01644': ['tRNA-Ile(aq)'],\n", + " 'kegg:C03127': ['L-isoleucyl-tRNA-Ile(aq)'],\n", + " 'kegg:C01646': ['tRNA-Lys(aq)'],\n", + " 'kegg:C01931': ['L-lysyl-tRNA-Lys(aq)'],\n", + " 'kegg:C01650': ['tRNA-Ser(aq)'],\n", + " 'kegg:C02553': ['L-seryl-tRNA-Ser(aq)'],\n", + " 'kegg:C01636': ['tRNA-Arg(aq)'],\n", + " 'kegg:C02163': ['L-arginyl-tRNA-Arg(aq)'],\n", + " 'kegg:C01648': ['tRNA-Phe(aq)'],\n", + " 'kegg:C03511': ['L-phenylalanyl-tRNA-Phe(aq)'],\n", + " 'kegg:C01643': ['tRNA-His(aq)'],\n", + " 'kegg:C02988': ['L-histidyl-tRNA-His(aq)'],\n", + " 'kegg:C03373': ['Aminoimidazole ribotide'],\n", + " 'kegg:C04751': ['1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate'],\n", + " 'kegg:C04734': [\"1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\"]}" + ] + }, + "execution_count": 25, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "inv_cpid" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "b2c909e7", + "metadata": {}, + "outputs": [], + "source": [ + "ldict = []\n", + "for cpd in compounds:\n", + " d = {}\n", + " d['name'] = cpd\n", + " d['kegg'] = numpy.NaN\n", + " d['synonyms'] = []\n", + " if cpd in cpid:\n", + " d['kegg'] = cpid[cpd]\n", + " if len(inv_cpid[d['kegg']]) > 1:\n", + " d['synonyms'] = inv_cpid[d['kegg']]\n", + " ldict.append(d)" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "id": "19034412", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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namekeggsynonyms
0benzyl alcohol(aq)kegg:C00556[]
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...
2benzaldehyde(aq)kegg:C00261[]
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']
41-butanol(aq)kegg:C06142[]
............
3098D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...
3099Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']
3100D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...
3102D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...
3103,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...
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1056 rows × 3 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \n", + "0 benzyl alcohol(aq) kegg:C00556 \\\n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "3098 D-Ribulose 5-phosphate kegg:C00199 \n", + "3099 Formaldehyde kegg:C00067 \n", + "3100 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "3102 D-Fructose 6-phosphate kegg:C00085 \n", + "3103 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "3098 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "3099 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "3100 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "3102 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "3103 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + "[1056 rows x 3 columns]" + ] + }, + "execution_count": 30, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "pandas.DataFrame(ldict).astype(str).drop_duplicates()" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "id": "12a315da", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "[{'name': 'benzyl alcohol(aq)', 'kegg': 'kegg:C00556', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'benzaldehyde(aq)', 'kegg': 'kegg:C00261', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1-butanol(aq)', 'kegg': 'kegg:C06142', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'butanal(aq)', 'kegg': 'kegg:C01412', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'cyclohexanol(aq)', 'kegg': 'kegg:C00854', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'cyclohexanone(aq)', 'kegg': 'kegg:C00414', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ethanol(aq)', 'kegg': 'kegg:C00469', 'synonyms': []},\n", + " {'name': 'desamino NAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'desamino NADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-hexanol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'hexanal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'cis-3-hexene-1-ol(aq)', 'kegg': 'kegg:C08492', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'cis-3-hexenal(aq)', 'kegg': 'kegg:C16310', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'trans-2-hexen-1-ol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'trans-2-hexenal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-nonanol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'nonanal', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': '1-octanol(aq)', 'kegg': 'kegg:C00756', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'octanal(aq)', 'kegg': 'kegg:C01545', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1-propanol(aq)', 'kegg': 'kegg:C05979', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'propanal(aq)', 'kegg': 'kegg:C00479', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-propanol(aq)', 'kegg': 'kegg:C01845', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetone(aq)', 'kegg': 'kegg:C00207', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-propanol(aq)', 'kegg': 'kegg:C01845', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetone(aq)', 'kegg': 'kegg:C00207', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'vitamin A alcohol(aq)',\n", + " 'kegg': 'kegg:C00473',\n", + " 'synonyms': ['vitamin A alcohol(aq)', 'retinol(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'vitamin A aldehyde(aq)',\n", + " 'kegg': 'kegg:C00376',\n", + " 'synonyms': ['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-homoserine(aq)', 'kegg': 'kegg:C00263', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-homoserine(aq)', 'kegg': 'kegg:C00263', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R,R)-2,3-butanediol(aq)', 'kegg': 'kegg:C03044', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(R)-acetoin(aq)', 'kegg': 'kegg:C00810', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone(aq)', 'kegg': 'kegg:C00184', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone(aq)', 'kegg': 'kegg:C00184', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'sn-glycerol 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00093',\n", + " 'synonyms': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone phosphate(aq)',\n", + " 'kegg': 'kegg:C00111',\n", + " 'synonyms': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'sn-glycerol 3-phosphate',\n", + " 'kegg': 'kegg:C00093',\n", + " 'synonyms': ['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'dihydroxyacetone phosphate(aq)',\n", + " 'kegg': 'kegg:C00111',\n", + " 'synonyms': ['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'allitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-psicose(aq)', 'kegg': 'kegg:C06468', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glycero-D-glucoheptitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-sedoheptulose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-iditol(aq)', 'kegg': 'kegg:C01507', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-sorbose(aq)', 'kegg': 'kegg:C00247', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ribitol(aq)', 'kegg': 'kegg:C00474', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-ribulose(aq)', 'kegg': 'kegg:C00309', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol(aq)', 'kegg': 'kegg:C00794', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-threitol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-erythrulose(aq)', 'kegg': 'kegg:C02045', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-xylulose(aq)', 'kegg': 'kegg:C00310', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-xylulose(aq)', 'kegg': 'kegg:C00312', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'galactitol(aq)', 'kegg': 'kegg:C01697', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-tagatose(aq)', 'kegg': 'kegg:C00795', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-mannitol(aq)', 'kegg': 'kegg:C00392', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-mannitol 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00644',\n", + " 'synonyms': ['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'myo-inositol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxo-myo-inositol', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'xylitol(aq)', 'kegg': 'kegg:C00379', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-xylose(aq)', 'kegg': 'kegg:C00181', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'quinate(aq)', 'kegg': 'kegg:C00296', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5-dehydroquinate(aq)',\n", + " 'kegg': 'kegg:C00944',\n", + " 'synonyms': ['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'shikimate(aq)', 'kegg': 'kegg:C00493', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-dehydroshikimate(aq)', 'kegg': 'kegg:C02637', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R)-glycerate(aq)', 'kegg': 'kegg:C00258', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'hydroxypyruvate(aq)', 'kegg': 'kegg:C00168', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycolate(aq)', 'kegg': 'kegg:C00160', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glycolate', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '...', 'kegg': nan, 'synonyms': []},\n", + " {'name': '2-hydroxybutanoate(aq)',\n", + " 'kegg': 'kegg:C05984',\n", + " 'synonyms': ['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxobutanoate(aq)', 'kegg': 'kegg:C00109', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2,4-dihydroxybutanoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '...', 'kegg': nan, 'synonyms': []},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': '(R)-lactate(aq)', 'kegg': 'kegg:C00256', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(R)-3-hydroxybutanoate(aq)', 'kegg': 'kegg:C01089', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxobutanoate(aq)',\n", + " 'kegg': 'kegg:C00164',\n", + " 'synonyms': ['3-oxobutanoate(aq)', 'acetoacetate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '3-hydroxy-2-methylpropanoate(aq)',\n", + " 'kegg': 'kegg:C01188',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-methyl-3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C00349',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C01144',\n", + " 'synonyms': ['(S)-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)',\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)',\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxobutanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00332',\n", + " 'synonyms': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C05268',\n", + " 'synonyms': ['(S)-3-hydroxyhexanoyl-CoA(aq)',\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxohexanoyl-CoA(aq)', 'kegg': 'kegg:C05269', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'meso-tartrate(aq)', 'kegg': 'kegg:C00552', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(E)-dihydroxyfumarate(aq)', 'kegg': 'kegg:C00975', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'meso-tartrate(aq)', 'kegg': 'kegg:C00552', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxo-3-hydroxysuccinate(aq)',\n", + " 'kegg': 'kegg:C03459',\n", + " 'synonyms': ['2-oxo-3-hydroxysuccinate(aq)',\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'L-aspartate(aq)', 'kegg': 'kegg:C00049', 'synonyms': []},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'citrate(aq)', 'kegg': 'kegg:C00158', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'isocitrate(aq)', 'kegg': 'kegg:C00311', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'isocitrate(aq)', 'kegg': 'kegg:C00311', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '6-phospho-D-gluconate(aq)', 'kegg': 'kegg:C00345', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-ribulose 5-phosphate(aq)',\n", + " 'kegg': 'kegg:C00199',\n", + " 'synonyms': ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': '-D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-glucono-1,5-lactone(aq)', 'kegg': 'kegg:C00198', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-galactose(aq)', 'kegg': 'kegg:C00124', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-galactono-1,4-lactone(aq)',\n", + " 'kegg': 'kegg:C03383',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucono-1,5-lactone 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C01236',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '6-phospho-D-gluconate(aq)', 'kegg': 'kegg:C00345', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '5α-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-androstane-3α,17β-diol(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-androstane-17β-ol-3-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'TNAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5α-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'TNADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5β-androstane-3α-ol-17-one(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-androstane-3,17-dione(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5β-pregnane-3α,17α,21-triol-20-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-pregnane-17α,21-diol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5β-pregnane-3α,17α,21-triol-11,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5β-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5alpha-androstane-3beta,17alpha-diol(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5alpha-androstane-17alpha-ol-3-one(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-androstene-17-ol-3-one(aq)',\n", + " 'kegg': 'kegg:C00535',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-androstene-3,17-dione(aq)',\n", + " 'kegg': 'kegg:C00280',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5α-pregnane-3β,17α,21-triol-11,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5α-pregnane-17α,21-diol-3,11,20-trione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '1,2-propanediol(aq)', 'kegg': 'kegg:C00583', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'L-lactaldehyde(aq)',\n", + " 'kegg': 'kegg:C00424',\n", + " 'synonyms': ['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '3-hydroxypropanoate(aq)', 'kegg': 'kegg:C01013', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C00222',\n", + " 'synonyms': ['3-oxopropanoate(aq)', '3-oxopropanoate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(R)-glycerate(aq)', 'kegg': 'kegg:C00258', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-hydroxy-3-oxopropanoate(aq)',\n", + " 'kegg': 'kegg:C01146',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-hydroxybutanoate(aq)', 'kegg': 'kegg:C00989', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-oxobutanoate(aq)', 'kegg': 'kegg:C00232', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'estradiol-17(aq)', 'kegg': 'kegg:C00951', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'estrone(aq)', 'kegg': 'kegg:C00468', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-gluconate(aq)', 'kegg': 'kegg:C00257', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5-oxo-D-gluconate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'glycerol(aq)', 'kegg': 'kegg:C00116', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '(R)-glyceraldehyde(aq)',\n", + " 'kegg': 'kegg:C00577',\n", + " 'synonyms': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'glycolate(aq)', 'kegg': 'kegg:C00160', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '3-phospho-D-glycerate(aq)',\n", + " 'kegg': 'kegg:C00197',\n", + " 'synonyms': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-phosphohydroxypyruvate(aq)',\n", + " 'kegg': 'kegg:C03232',\n", + " 'synonyms': ['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)',\n", + " 'kegg': 'kegg:C04367',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)',\n", + " 'kegg': 'kegg:C01244',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '3-hydroxybenzyl alcohol(aq)',\n", + " 'kegg': 'kegg:C03351',\n", + " 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-hydroxybenzaldehyde(aq)', 'kegg': 'kegg:C03067', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C04618',\n", + " 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '3-oxobutanoyl-[acyl-carrier protein](aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-dehydrocarnitine(aq)', 'kegg': 'kegg:C02636', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'indole-3-lactate(aq)', 'kegg': 'kegg:C02043', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'indole-3-pyruvate(aq)', 'kegg': 'kegg:C00331', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucono-1,5-lactone(aq)', 'kegg': 'kegg:C00198', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5-dehydro-D-fructose(aq)', 'kegg': 'kegg:C00273', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '2-deoxy-D-gluconate(aq)', 'kegg': 'kegg:C02782', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-deoxy-3-dehydro-D-gluconate(aq)',\n", + " 'kegg': 'kegg:C03926',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-threonate(aq)', 'kegg': 'kegg:C01620', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-oxo-L-threonate(aq)', 'kegg': 'kegg:C03064', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol 6-phosphate(aq)', 'kegg': 'kegg:C01096', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'prostaglandin E1(aq)', 'kegg': 'kegg:C04741', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '15-oxo-prostaglandin E1(aq)',\n", + " 'kegg': 'kegg:C04654',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '4-pregnene-11β,17α,21-triol-3,20-dione(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '4-pregnene-11β,17α-diol-3,20,21-trione( aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '7,8-dihydrobiopterin(aq)', 'kegg': 'kegg:C02953', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'sepiapterin(aq)', 'kegg': 'kegg:C00835', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'coniferyl alcohol(aq)', 'kegg': 'kegg:C00590', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'coniferyl aldehyde(aq)', 'kegg': 'kegg:C02666', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(R)-2-hydroxyglutarate(aq)', 'kegg': 'kegg:C01087', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-sorbitol 6-phosphate(aq)', 'kegg': 'kegg:C01096', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-glucose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-gluconate(aq)', 'kegg': 'kegg:C00257', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '2-oxo-D-gluconate(aq)', 'kegg': 'kegg:C06473', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(S)-lactate(aq)', 'kegg': 'kegg:C00186', 'synonyms': []},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': '(S)-malate(aq)', 'kegg': 'kegg:C00149', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'lactose(aq)', 'kegg': 'kegg:C00243', 'synonyms': []},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': '3-oxolactose(aq)', 'kegg': 'kegg:C05403', 'synonyms': []},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-aspartate 4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-4-aspartyl phosphate(aq)',\n", + " 'kegg': 'kegg:C03082',\n", + " 'synonyms': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'L-aspartate-4-semialdehyde(aq)',\n", + " 'kegg': 'kegg:C00441',\n", + " 'synonyms': ['L-aspartate 4-semialdehyde(aq)',\n", + " 'L-aspartate-4-semialdehyde(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-4-aspartyl phosphate(aq)',\n", + " 'kegg': 'kegg:C03082',\n", + " 'synonyms': ['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(aminomethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-animomethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(chloroethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-chloroethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(chloromethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-chloromethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(ethyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-ethyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(methoxy)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-methoxy)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': '(methyl)phosphoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl-methyl)phosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '3-phospho-D-glyceroyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00236',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'phosphonate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '(3-phospho-D-glyceroyl)phosphonate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': '3-phospho-D-glycerate(aq)',\n", + " 'kegg': 'kegg:C00197',\n", + " 'synonyms': ['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']},\n", + " {'name': 'ATP(aq)',\n", + " 'kegg': 'kegg:C00002',\n", + " 'synonyms': ['ATP(aq)', 'ATP', 'ATP-4-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxalyl-CoA(aq)', 'kegg': 'kegg:C00313', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'carbon dioxide(aq)',\n", + " 'kegg': 'kegg:C00288',\n", + " 'synonyms': ['carbon dioxide(aq)', 'CO2(aq)', 'CO2']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'succinate(aq)', 'kegg': 'kegg:C00042', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'fumarate(aq)',\n", + " 'kegg': 'kegg:C00122',\n", + " 'synonyms': ['fumarate(aq)', 'Fumarate']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '(S)-dihydroorotate(aq)', 'kegg': 'kegg:C00337', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'orotate(aq)', 'kegg': 'kegg:C00295', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '(S)-dihydroorotate(aq)', 'kegg': 'kegg:C00337', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'orotate(aq)', 'kegg': 'kegg:C00295', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'L-alanine(aq)',\n", + " 'kegg': 'kegg:C00041',\n", + " 'synonyms': ['L-alanine(aq)', 'L-alanine']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'desamino NAD(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'desamino NADH(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-oxoglutarate(aq)', 'kegg': 'kegg:C00026', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-leucine(aq)', 'kegg': 'kegg:C00123', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '4-methyl-2-oxopentanoate(aq)',\n", + " 'kegg': 'kegg:C00233',\n", + " 'synonyms': ['4-methyl-2-oxopentanoate(aq)',\n", + " '4-methyl-2-oxopentanooate(aq)',\n", + " '2-oxoisocaproate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'glycine(ag)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'glyoxylate(aq)', 'kegg': 'kegg:C00048', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': 'L-erythro-3,5-diaminohexanoate(aq)',\n", + " 'kegg': 'kegg:C01186',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '(S)-5-amino-3-oxohexanoate(aq)',\n", + " 'kegg': 'kegg:C03656',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': '2,4-diaminopentanoate(aq)',\n", + " 'kegg': 'kegg:C03943',\n", + " 'synonyms': ['2,4-diaminopentanoate(aq)',\n", + " 'D-threo-2,4-diaminopentanoate(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-amino-4-oxopentanoate(aq)',\n", + " 'kegg': 'kegg:C03341',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'ammonia(aq)',\n", + " 'kegg': 'kegg:C00014',\n", + " 'synonyms': ['ammonia(aq)', 'NH3(aq)']},\n", + " {'name': '(S)-proline(aq)', 'kegg': 'kegg:C00148', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-pyrroline-2-carboxylate(aq)',\n", + " 'kegg': 'kegg:C03564',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '(S)-proline(aq)', 'kegg': 'kegg:C00148', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-pyrroline-5-carboxylate(aq)',\n", + " 'kegg': 'kegg:C03912',\n", + " 'synonyms': ['D-1-pyrroline-5-carboxylate(aq)',\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '7,8-dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'folate(aq)', 'kegg': 'kegg:C00504', 'synonyms': []},\n", + " {'name': '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,6,7,8-tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '7,8-dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'N-2-(D-1-carboxyethyl)-L-arginine(aq)',\n", + " 'kegg': 'kegg:C04137',\n", + " 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'L-arginine(aq)', 'kegg': 'kegg:C00062', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'AP-NAD(aq)', 'kegg': 'COCO:COCOM00012', 'synonyms': []},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'AP-NADH(aq)', 'kegg': 'COCO:COCOM00013', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '5,10-methenyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00445',\n", + " 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': \"2,2'-iminodipropanoate(aq)\", 'kegg': 'kegg:C03210', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'L-alanine(aq)',\n", + " 'kegg': 'kegg:C00041',\n", + " 'synonyms': ['L-alanine(aq)', 'L-alanine']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': '2-methyliminodiacetatc(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H20(l)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'L-pipecolate(aq)', 'kegg': 'kegg:C00408', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'D-1-piperidine-2-carboxylate(aq)',\n", + " 'kegg': 'kegg:C04092',\n", + " 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'reduced glutathione(aq)',\n", + " 'kegg': '2 kegg:C00051',\n", + " 'synonyms': ['reduced glutathione(aq)', 'glutathoine(red)(aq)']},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxidized glutathione(aq)',\n", + " 'kegg': 'kegg:C00127',\n", + " 'synonyms': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'reduced thioredoxin(aq)', 'kegg': 'kegg:C00342', 'synonyms': []},\n", + " {'name': 'NADP(aq)',\n", + " 'kegg': 'kegg:C00006',\n", + " 'synonyms': ['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']},\n", + " {'name': 'oxidized thioredoxin(aq)', 'kegg': 'kegg:C00343', 'synonyms': []},\n", + " {'name': 'NADPH(aq)',\n", + " 'kegg': 'kegg:C00005',\n", + " 'synonyms': ['NADPH(aq)', 'NADP(red)(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '5-methyltetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00440',\n", + " 'synonyms': []},\n", + " {'name': 'flavin-adenine dinucleotide(aq)',\n", + " 'kegg': 'kegg:C00016',\n", + " 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'reduced flavin-adenine dinucleotide(aq)',\n", + " 'kegg': 'kegg:C01352',\n", + " 'synonyms': []},\n", + " {'name': 'dihydrolipoamide(aq)', 'kegg': 'kegg:C00579', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'lipoamide(aq)', 'kegg': 'kegg:C00248', 'synonyms': []},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'dihydro--lipoate(aq)', 'kegg': 'kegg:C02147', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': '-lipoate(aq)',\n", + " 'kegg': 'kegg:C00725',\n", + " 'synonyms': ['-lipoate(aq)', 'lipoate(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'oxidized glutathione(aq)',\n", + " 'kegg': 'kegg:C00127',\n", + " 'synonyms': ['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']},\n", + " {'name': 'CoA-glutathione(aq)', 'kegg': 'kegg:C00920', 'synonyms': []},\n", + " {'name': 'reduced glutathione(aq)',\n", + " 'kegg': '2 kegg:C00051',\n", + " 'synonyms': ['reduced glutathione(aq)', 'glutathoine(red)(aq)']},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'reduced cytochrome c(aq)', 'kegg': '4 kegg:C00126', 'synonyms': []},\n", + " {'name': 'O2(aq)', 'kegg': 'kegg:C00007', 'synonyms': ['O2(aq)', 'O2']},\n", + " {'name': 'cytochrome c(aq)', 'kegg': '4 kegg:C00125', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'H2(aq)', 'kegg': 'kegg:C00282', 'synonyms': []},\n", + " {'name': 'NAD(aq)',\n", + " 'kegg': 'kegg:C00003',\n", + " 'synonyms': ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']},\n", + " {'name': 'NADH(aq)',\n", + " 'kegg': 'kegg:C00004',\n", + " 'synonyms': ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']},\n", + " {'name': 'betaine(aq)', 'kegg': 'kegg:C00719', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'N,N-dimethylglycine(aq)', 'kegg': 'kegg:C01026', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'dimethylacetothetin(aq)', 'kegg': 'kegg:C03392', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-methylthioglycolate(aq)', 'kegg': 'kegg:C03173', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'dimethylpropiothetin(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-methyltpropiothetin(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'S-methylmethionine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'trimethylsulfonium(aq)', 'kegg': 'kegg:C01008', 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'dimethylsulfide(aq)', 'kegg': 'kegg:C00580', 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': 'S-adenosyl-L-methionine(aq)',\n", + " 'kegg': 'kegg:C00019',\n", + " 'synonyms': []},\n", + " {'name': 'L-homocysteine(aq)', 'kegg': 'kegg:C00155', 'synonyms': []},\n", + " {'name': 'S-adenosyl-L-homocysteine(aq)',\n", + " 'kegg': 'kegg:C00021',\n", + " 'synonyms': []},\n", + " {'name': 'L-methionine(aq)', 'kegg': 'kegg:C00073', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'dUMP(aq)', 'kegg': 'kegg:C00365', 'synonyms': []},\n", + " {'name': 'dihydrofolate(aq)',\n", + " 'kegg': 'kegg:C00415',\n", + " 'synonyms': ['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']},\n", + " {'name': 'dTMP(aq)', 'kegg': 'kegg:C00364', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'acetaldehyde(aq)', 'kegg': 'kegg:C00084', 'synonyms': []},\n", + " {'name': 'L-threonine(aq)', 'kegg': 'kegg:C00188', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': 'L-serine(aq)', 'kegg': 'kegg:C00065', 'synonyms': []},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': 'L-serine(aq)', 'kegg': 'kegg:C00065', 'synonyms': []},\n", + " {'name': '5-formiminotetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00664',\n", + " 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'N-formiminoglycine(aq)', 'kegg': 'kegg:C02718', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5-formiminotetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00664',\n", + " 'synonyms': []},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'N-formimino-L-glutamate(aq)',\n", + " 'kegg': 'kegg:C00439',\n", + " 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '2-hydroxymethylserine(aq)', 'kegg': 'kegg:C03059', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'D-serine(aq)', 'kegg': 'kegg:C00740', 'synonyms': []},\n", + " {'name': 'H2O(1)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-hydroxymethylserine(aq)', 'kegg': 'kegg:C03059', 'synonyms': []},\n", + " {'name': 'D-serine(aq)', 'kegg': 'kegg:C00740', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': '2-methylserine(aq)', 'kegg': 'kegg:C02115', 'synonyms': []},\n", + " {'name': 'tetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00101',\n", + " 'synonyms': ['5,6,7,8-tetrahydrofolate(aq)',\n", + " 'tetrahydrofolate(aq)',\n", + " 'THF(aq)',\n", + " 'Tetrahydrofolate']},\n", + " {'name': '5,10-methylenetetrahydrofolate(aq)',\n", + " 'kegg': 'kegg:C00143',\n", + " 'synonyms': ['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']},\n", + " {'name': 'D-alanine(aq)', 'kegg': 'kegg:C00133', 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': '2-methylserine(aq)', 'kegg': 'kegg:C02115', 'synonyms': []},\n", + " {'name': 'D-alanine(aq)', 'kegg': 'kegg:C00133', 'synonyms': []},\n", + " {'name': 'formaldehyde(aq)',\n", + " 'kegg': 'kegg:C00067',\n", + " 'synonyms': ['formaldehyde(aq)', 'Formaldehyde']},\n", + " {'name': 'oxaloacetate(aq)',\n", + " 'kegg': 'kegg:C00036',\n", + " 'synonyms': ['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']},\n", + " {'name': 'propanoyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00100',\n", + " 'synonyms': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'methylmalonyl-CoA(aq)', 'kegg': 'kegg:C02557', 'synonyms': []},\n", + " {'name': 'carbamoyl phosphate(aq)', 'kegg': 'kegg:C00169', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'L-citrulline(aq)', 'kegg': 'kegg:C00327', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'L-arginine(aq)', 'kegg': 'kegg:C00062', 'synonyms': []},\n", + " {'name': 'glycine(aq)', 'kegg': 'kegg:C00037', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'guanidinoacetate(aq)', 'kegg': 'kegg:C00581', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phospahte(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'glycolaldehyde(aq)', 'kegg': 'kegg:C00266', 'synonyms': []},\n", + " {'name': 'L-erythrulose(aq)', 'kegg': 'kegg:C02045', 'synonyms': []},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'sedoheptulose 7-phosphate(aq)',\n", + " 'kegg': 'kegg:C05382',\n", + " 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-ribose 5-phosphate(aq)', 'kegg': 'kegg:C00117', 'synonyms': []},\n", + " {'name': 'D-xylulose 5-phosphate(aq)', 'kegg': 'kegg:C00231', 'synonyms': []},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde-3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'D-glyceraldehyde(aq)',\n", + " 'kegg': 'kegg:C00577',\n", + " 'synonyms': ['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']},\n", + " {'name': 'sedoheptulose 7-phosphate(aq)',\n", + " 'kegg': 'kegg:C05382',\n", + " 'synonyms': []},\n", + " {'name': 'D-glyceraldehyde 3-phosphate(aq)',\n", + " 'kegg': 'kegg:C00118',\n", + " 'synonyms': ['D-glyceraldehyde 3-phosphate(aq)',\n", + " 'D-glyceraldehyde-3-phosphate(aq)']},\n", + " {'name': 'D-erythrose 4-phosphate(aq)',\n", + " 'kegg': 'kegg:C00279',\n", + " 'synonyms': ['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'imidazole(aq)', 'kegg': 'kegg:C01589', 'synonyms': []},\n", + " {'name': 'N-acetylimidazole(aq)', 'kegg': 'kegg:C02560', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'acetanilide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'aniline(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-acetylacetanalide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-aminoacetophenone(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-chloroacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-chloroaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-cyanoacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-cyanoaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'ethyl 4-acetamidobenzoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'ethyl 4-aminobenzoate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methoxyacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methoxyaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-methylacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'p-toluidine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-nitroacetanilide(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"4'-nitroaniline(aq)\", 'kegg': nan, 'synonyms': []},\n", + " {'name': \"4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'α,α,α-trifluoro-m-acetanilide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': \"N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'α,α,α-trifluoro-m-toluidine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'choline(aq)', 'kegg': 'kegg:C00114', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'O-acetylcholine(aq)',\n", + " 'kegg': 'kegg:C01996',\n", + " 'synonyms': ['O-acetylcholine(aq)', 'acetylcholine(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-acetylcarnitine(aq)', 'kegg': 'kegg:C02571', 'synonyms': []},\n", + " {'name': 'butyryl-CoA(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-butyrylcarnitine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'propionyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00100',\n", + " 'synonyms': ['propanoyl-CoA(aq)',\n", + " 'propionyl-CoA(aq)',\n", + " 'propanonyl-CoA(aq)']},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-propionylcarnitine(aq)', 'kegg': 'kegg:C03017', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'imidazole(aq)', 'kegg': 'kegg:C01589', 'synonyms': []},\n", + " {'name': 'N-acetylimidazole(aq)', 'kegg': 'kegg:C02560', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'formyl-CoA(aq)', 'kegg': 'kegg:C00798', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'formyl phosphate(aq)', 'kegg': 'kegg:C02405', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetate(aq)',\n", + " 'kegg': 'kegg:C00033',\n", + " 'synonyms': ['acetate(aq)', 'acetate-(aq)']},\n", + " {'name': 'ATP(aq)',\n", + " 'kegg': 'kegg:C00002',\n", + " 'synonyms': ['ATP(aq)', 'ATP', 'ATP-4-(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'orthophospate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetoacetyl-CoA(aq)',\n", + " 'kegg': 'kegg:C00332',\n", + " 'synonyms': ['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']},\n", + " {'name': 'palmitoyl-CoA(aq)', 'kegg': 'kegg:C00154', 'synonyms': []},\n", + " {'name': 'L-carnitine(aq)', 'kegg': 'kegg:C00318', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'L-palmitoylcarnitine(aq)', 'kegg': 'kegg:C02990', 'synonyms': []},\n", + " {'name': 'N-2-acetyl-L-ornithine(aq)', 'kegg': 'kegg:C00437', 'synonyms': []},\n", + " {'name': 'L-glutamate(aq)', 'kegg': 'kegg:C00025', 'synonyms': []},\n", + " {'name': 'L-ornithine(aq)', 'kegg': 'kegg:C00077', 'synonyms': []},\n", + " {'name': 'N-acetyl-L-glutamate(aq)', 'kegg': 'kegg:C00624', 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'acyl-carrier protein(aq)', 'kegg': 'kegg:C00229', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'acetyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C03939',\n", + " 'synonyms': []},\n", + " {'name': 'malonyl-CoA(aq)', 'kegg': 'kegg:C00083', 'synonyms': []},\n", + " {'name': 'acyl-carrier protein(aq)', 'kegg': 'kegg:C00229', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'malonyl-[acyl-carrier protein](aq)',\n", + " 'kegg': 'kegg:C01209',\n", + " 'synonyms': []},\n", + " {'name': 'acetyl-CoA(aq)', 'kegg': 'kegg:C00024', 'synonyms': []},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'CoA(aq)', 'kegg': 'kegg:C00010', 'synonyms': []},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'pyruvate(aq)',\n", + " 'kegg': 'kegg:C00022',\n", + " 'synonyms': ['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'acetyl phosphate(aq)',\n", + " 'kegg': 'kegg:C00227',\n", + " 'synonyms': ['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']},\n", + " {'name': 'formate(aq)', 'kegg': 'kegg:C00058', 'synonyms': []},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': '-D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'maltose(aq)', 'kegg': 'kegg:C00208', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': '(2,6-beta-D-fructosyl)n(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': '(2,6-beta-D-fructosyl)n+1(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'ADPglucose(aq)', 'kegg': 'kegg:C00498', 'synonyms': []},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'ADP(aq)',\n", + " 'kegg': 'kegg:C00008',\n", + " 'synonyms': ['ADP(aq)', 'ADP-3-(aq)']},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-fructose(aq)', 'kegg': 'kegg:C00095', 'synonyms': []},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': 'sucrose(aq)', 'kegg': 'kegg:C00089', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-fructose 6-phosphate(aq)',\n", + " 'kegg': 'kegg:C00085',\n", + " 'synonyms': ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': 'sucrose 6-phosphate(aq)', 'kegg': 'kegg:C16688', 'synonyms': []},\n", + " {'name': 'UDP-glucose',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'D-glucose 6-phosphate',\n", + " 'kegg': 'kegg:C00092',\n", + " 'synonyms': ['D-glucose 6-phosphate(aq)',\n", + " 'D-glucose 6-phosphate',\n", + " '-D-glucose 6-phosphate(aq)']},\n", + " {'name': 'UDP', 'kegg': 'kegg:C00015', 'synonyms': []},\n", + " {'name': \"alpha,alpha'-trehalose 6-phosphate\",\n", + " 'kegg': 'kegg:C00689',\n", + " 'synonyms': [\"alpha,alpha'-trehalose 6-phosphate\",\n", + " ',-trehalose 6-phosphate(aq)']},\n", + " {'name': 'cycloheptaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cyclohexaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cyclooctaamylose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'H2O(l)',\n", + " 'kegg': 'kegg:C00001',\n", + " 'synonyms': ['H2O(l)', 'H2O(1)', 'H2O', 'H2o(l)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'cellobiose(aq)', 'kegg': 'kegg:C00185', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'cellotriose(aq)', 'kegg': 'kegg:C06219', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'cellobiose(aq)', 'kegg': 'kegg:C00185', 'synonyms': []},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'laminaribiose(aq)', 'kegg': 'kegg:C02048', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': 'laminaritetraose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'laminaritriose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'alpha-D-glucose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'laminaritriose(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'laminaribiose(aq)', 'kegg': 'kegg:C02048', 'synonyms': []},\n", + " {'name': 'alpha-D-glucose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': ',-trehalose(aq)', 'kegg': 'kegg:C01083', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'D-glucose(aq)',\n", + " 'kegg': 'kegg:C00031',\n", + " 'synonyms': ['-D-glucose(aq)', 'D-glucose(aq)']},\n", + " {'name': 'D-glucose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00103',\n", + " 'synonyms': ['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']},\n", + " {'name': '1--D-galactosyl-myo-inositol(aq)',\n", + " 'kegg': 'kegg:C01235',\n", + " 'synonyms': []},\n", + " {'name': 'raffinose(aq)', 'kegg': 'kegg:C00492', 'synonyms': []},\n", + " {'name': 'myo-inositol(aq)', 'kegg': 'kegg:C00137', 'synonyms': []},\n", + " {'name': 'stachyose(aq)', 'kegg': 'kegg:C01613', 'synonyms': []},\n", + " {'name': 'UDPglucose(aq)',\n", + " 'kegg': 'kegg:C00029',\n", + " 'synonyms': ['UDPglucose(aq)', 'UDP-glucose']},\n", + " {'name': 'sinapate(aq)', 'kegg': 'kegg:C00482', 'synonyms': []},\n", + " {'name': 'UDP(aq)', 'kegg': '2 kegg:C00015', 'synonyms': []},\n", + " {'name': '1-sinapoyl-D-glucose(aq)', 'kegg': 'kegg:C01175', 'synonyms': []},\n", + " {'name': 'adenosine(aq)', 'kegg': 'kegg:C00212', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': \"2'-deoxyinosine(aq)\",\n", + " 'kegg': 'kegg:C05512',\n", + " 'synonyms': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"]},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '2-deoxy--D-ribose 1-phosphate(aq)',\n", + " 'kegg': 'kegg:C00672',\n", + " 'synonyms': []},\n", + " {'name': 'guanosine(aq)', 'kegg': 'kegg:C00387', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'alpha-D-ribose 1-phosphate(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'nicotinamide(aq)', 'kegg': 'kegg:C00153', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'nicotinamide riboside(aq)', 'kegg': 'kegg:C03150', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'xanthosine(aq)', 'kegg': 'kegg:C01762', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'xanthine(aq)', 'kegg': 'kegg:C00385', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'inosine(aq)', 'kegg': 'kegg:C00294', 'synonyms': []},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': '5-methyluridine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '5-methyluridine(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': 'alpha-D-ribose-1-phosphate', 'kegg': nan, 'synonyms': []},\n", + " {'name': 'uridine(aq)', 'kegg': 'kegg:C00299', 'synonyms': []},\n", + " {'name': 'orthophosphate(aq)',\n", + " 'kegg': 'kegg:C00009',\n", + " 'synonyms': ['orthophosphate(aq)',\n", + " 'orthophospate(aq)',\n", + " 'HPO4-2-(aq)',\n", + " 'phosphate(aq)']},\n", + " {'name': 'uracil(aq)', 'kegg': 'kegg:C00106', 'synonyms': []},\n", + " {'name': 'D-ribose 1-phosphate(aq)', 'kegg': 'kegg:C00620', 'synonyms': []},\n", + " {'name': 'thymidine(aq)', 'kegg': 'kegg:C00214', 'synonyms': []},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': \"2'-deoxyadenosine(aq)\", 'kegg': 'kegg:C00559', 'synonyms': []},\n", + " {'name': 'thymine(aq)', 'kegg': 'kegg:C00178', 'synonyms': []},\n", + " {'name': \"2'-deoxyinosine(aq)\",\n", + " 'kegg': 'kegg:C05512',\n", + " 'synonyms': [\"2'-deoxyinosine(aq)\", \"'-deoxyinosine(aq)\"]},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': \"2'-deoxyadenosine(aq)\", 'kegg': 'kegg:C00559', 'synonyms': []},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'adenine(aq)', 'kegg': 'kegg:C00147', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'AMP(aq)',\n", + " 'kegg': 'kegg:C00020',\n", + " 'synonyms': ['AMP(aq)', 'AMP-2--(aq)', 'AMP']},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': '5-amino-4-imidazolecarboxamide(aq)', 'kegg': nan, 'synonyms': []},\n", + " {'name': '5-phospho-alpha-D-ribose 1-dipihosphate(aq)',\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': \"5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq)\",\n", + " 'kegg': nan,\n", + " 'synonyms': []},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': 'GMP(aq)',\n", + " 'kegg': 'kegg:C00144',\n", + " 'synonyms': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"]},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': 'IMP(aq)', 'kegg': 'kegg:C00130', 'synonyms': []},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': 'guanine(aq)', 'kegg': 'kegg:C00242', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'GMP(aq)',\n", + " 'kegg': 'kegg:C00144',\n", + " 'synonyms': ['GMP(aq)', \"guanosine 5 '-phosphate(aq)\"]},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': 'hypoxanthine(aq)', 'kegg': 'kegg:C00262', 'synonyms': []},\n", + " {'name': '5-phospho--D-ribose 1-diphosphate(aq)',\n", + " 'kegg': 'kegg:C00119',\n", + " 'synonyms': ['5-phospho--D-ribose 1-diphosphate(aq)',\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']},\n", + " {'name': 'IMP(aq)', 'kegg': 'kegg:C00130', 'synonyms': []},\n", + " {'name': 'pyrophosphate(aq)',\n", + " 'kegg': 'kegg:C00013',\n", + " 'synonyms': ['pyrophosphate(aq)',\n", + " 'pyrophosphate',\n", + " 'diphosphate(aq)',\n", + " 'diphosphate']},\n", + " {'name': \"orotidine 5'-phosphate(aq)\",\n", + " 'kegg': 'kegg:C01103',\n", + " 'synonyms': [\"orotidine 5'-phosphate(aq)\", \"orotidine 5 '-phosphate(aq)\"]},\n", + " ...]" + ] + }, + "execution_count": 31, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "ldict" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "id": "28c02dbe", + "metadata": {}, + "outputs": [], + "source": [ + "import pickle" + ] + }, + { + "cell_type": "code", + "execution_count": 33, + "id": "2f0c45e9", + "metadata": {}, + "outputs": [], + "source": [ + "with open('compound_dict.pkl', 'wb') as f:\n", + " pickle.dump(ldict, f)" + ] + }, + { + "cell_type": "code", + "execution_count": 34, + "id": "cf5ec847", + "metadata": {}, + "outputs": [], + "source": [ + "import requests, time, pickle, warnings, os, shutil\n", + "from copy import deepcopy" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "id": "2fbc6454", + "metadata": {}, + "outputs": [], + "source": [ + "kegg_url_dict = {\n", + " 'chebi': lambda x: f\"https://rest.kegg.jp/conv/chebi/{x}\",\n", + " 'pubchem': lambda x: f\"https://rest.kegg.jp/conv/pubchem/{x}\",\n", + " 'image': lambda x: f\"https://rest.kegg.jp/get/{x}/image\",\n", + "}" + ] + }, + { + "cell_type": "code", + "execution_count": 36, + "id": "00195e8d", + "metadata": {}, + "outputs": [], + "source": [ + "mkdir -p images" + ] + }, + { + "cell_type": "markdown", + "id": "8abaab6c", + "metadata": {}, + "source": [ + "## Note: in previous runs stoichiometry was there in the .gif names" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "af6ef725", + "metadata": {}, + "outputs": [], + "source": [ + "# note: untested / unused\n", + "def no_stoch(name): # apply this function like this: get_kegg_info(no_stoch(cpid[cpd].replace('kegg:', '')))\n", + " if not name.startswith('C'):\n", + " return name.split()[1]\n", + " return name" + ] + }, + { + "cell_type": "code", + "execution_count": 60, + "id": "f049c904", + "metadata": {}, + "outputs": [], + "source": [ + "def get_kegg_info(name):\n", + " kegg_requests_dict = {}\n", + " try:\n", + " kegg_requests_dict = deepcopy(kegg_url_dict)\n", + " for k, v in kegg_url_dict.items():\n", + " try:\n", + " if k != 'image':\n", + " req = requests.get(v(name))\n", + " print(v(name))\n", + " assert(req.status_code == 200)\n", + " assert(isinstance(req.text, str))\n", + " assert('\\t' in req.text)\n", + " kegg_requests_dict[k] = req.text.split('\\t')[1] # type: ignore\n", + " else:\n", + " assert(k == 'image')\n", + " kegg_requests_dict[k] = f'images/{name}.gif'\n", + " if os.path.exists(f'images/{name}.gif'):\n", + " continue\n", + " req = requests.get(v(name), stream=True)\n", + " print(v(name))\n", + " assert(req.status_code == 200)\n", + " with open(f'images/{name}.gif', 'wb') as f:\n", + " req.raw.decode_content = True\n", + " shutil.copyfileobj(req.raw, f)\n", + " time.sleep(0.005)\n", + " except (requests.exceptions.RequestException, AssertionError):\n", + " warnings.warn(f\"Unable to fetch {k} from kegg correspondance URL\")\n", + " del kegg_requests_dict[k]\n", + " return kegg_requests_dict\n", + " except KeyboardInterrupt as e:\n", + " raise e\n", + " finally:\n", + " return kegg_requests_dict" + ] + }, + { + "cell_type": "code", + "execution_count": 38, + "id": "991c27ee", + "metadata": {}, + "outputs": [], + "source": [ + "compounds = list(dict.fromkeys(compounds))" + ] + }, + { + "cell_type": "code", + "execution_count": 39, + "id": "f32c0f53", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://rest.kegg.jp/conv/chebi/C00556\n", + "https://rest.kegg.jp/conv/pubchem/C00556\n", + "https://rest.kegg.jp/get/C00556/image\n", + "https://rest.kegg.jp/conv/chebi/C00003\n", + "https://rest.kegg.jp/conv/pubchem/C00003\n", + "https://rest.kegg.jp/get/C00003/image\n", + "https://rest.kegg.jp/conv/chebi/C00261\n", + "https://rest.kegg.jp/conv/chebi/C00004\n", + "https://rest.kegg.jp/conv/pubchem/C00004\n", + "https://rest.kegg.jp/get/C00004/image\n", + "https://rest.kegg.jp/conv/chebi/C06142\n", + "https://rest.kegg.jp/conv/pubchem/C06142\n", + "https://rest.kegg.jp/get/C06142/image\n", + "https://rest.kegg.jp/conv/chebi/C01412\n", + "https://rest.kegg.jp/conv/pubchem/C01412\n", + "https://rest.kegg.jp/get/C01412/image\n", + "https://rest.kegg.jp/conv/chebi/C00854\n", + "https://rest.kegg.jp/conv/pubchem/C00854\n", + "https://rest.kegg.jp/get/C00854/image\n", + "https://rest.kegg.jp/conv/chebi/C00414\n", + "https://rest.kegg.jp/conv/pubchem/C00414\n", + "https://rest.kegg.jp/get/C00414/image\n", + "https://rest.kegg.jp/conv/chebi/C00469\n", + "https://rest.kegg.jp/conv/pubchem/C00469\n", + "https://rest.kegg.jp/get/C00469/image\n", + "https://rest.kegg.jp/conv/chebi/C00084\n", + "https://rest.kegg.jp/conv/pubchem/C00084\n", + "https://rest.kegg.jp/get/C00084/image\n", + "https://rest.kegg.jp/conv/chebi/C00003\n", + "https://rest.kegg.jp/conv/pubchem/C00003\n", + "https://rest.kegg.jp/get/C00003/image\n", + "https://rest.kegg.jp/conv/chebi/C08492\n", + "https://rest.kegg.jp/conv/pubchem/C08492\n", + "https://rest.kegg.jp/get/C08492/image\n", + "https://rest.kegg.jp/conv/chebi/C16310\n", + "https://rest.kegg.jp/conv/pubchem/C16310\n", + "https://rest.kegg.jp/get/C16310/image\n", + "https://rest.kegg.jp/conv/chebi/C00756\n", + "https://rest.kegg.jp/conv/pubchem/C00756\n", + "https://rest.kegg.jp/get/C00756/image\n", + "https://rest.kegg.jp/conv/chebi/C01545\n", + "https://rest.kegg.jp/conv/pubchem/C01545\n", + "https://rest.kegg.jp/get/C01545/image\n", + "https://rest.kegg.jp/conv/chebi/C05979\n", + "https://rest.kegg.jp/conv/pubchem/C05979\n", + "https://rest.kegg.jp/get/C05979/image\n", + "https://rest.kegg.jp/conv/chebi/C00479\n", + "https://rest.kegg.jp/conv/pubchem/C00479\n", + "https://rest.kegg.jp/get/C00479/image\n", + "https://rest.kegg.jp/conv/chebi/C01845\n", + "https://rest.kegg.jp/conv/pubchem/C01845\n", + "https://rest.kegg.jp/get/C01845/image\n", + "https://rest.kegg.jp/conv/chebi/C00207\n", + "https://rest.kegg.jp/conv/pubchem/C00207\n", + "https://rest.kegg.jp/get/C00207/image\n", + "https://rest.kegg.jp/conv/chebi/C00473\n", + "https://rest.kegg.jp/conv/pubchem/C00473\n", + "https://rest.kegg.jp/get/C00473/image\n", + "https://rest.kegg.jp/conv/chebi/C00376\n", + "https://rest.kegg.jp/conv/pubchem/C00376\n", + "https://rest.kegg.jp/get/C00376/image\n", + "https://rest.kegg.jp/conv/chebi/C00263\n", + "https://rest.kegg.jp/conv/pubchem/C00263\n", + "https://rest.kegg.jp/get/C00263/image\n", + "https://rest.kegg.jp/conv/chebi/C00441\n", + "https://rest.kegg.jp/conv/pubchem/C00441\n", + "https://rest.kegg.jp/get/C00441/image\n", + "https://rest.kegg.jp/conv/chebi/C00006\n", + "https://rest.kegg.jp/conv/pubchem/C00006\n", + "https://rest.kegg.jp/get/C00006/image\n", + "https://rest.kegg.jp/conv/chebi/C00005\n", + "https://rest.kegg.jp/conv/pubchem/C00005\n", + "https://rest.kegg.jp/get/C00005/image\n", + "https://rest.kegg.jp/conv/chebi/C03044\n", + "https://rest.kegg.jp/conv/pubchem/C03044\n", + "https://rest.kegg.jp/get/C03044/image\n", + "https://rest.kegg.jp/conv/chebi/C00810\n", + "https://rest.kegg.jp/conv/pubchem/C00810\n", + "https://rest.kegg.jp/get/C00810/image\n", + "https://rest.kegg.jp/conv/chebi/C00116\n", + "https://rest.kegg.jp/conv/pubchem/C00116\n", + "https://rest.kegg.jp/get/C00116/image\n", + "https://rest.kegg.jp/conv/chebi/C00184\n", + "https://rest.kegg.jp/conv/pubchem/C00184\n", + "https://rest.kegg.jp/get/C00184/image\n", + "https://rest.kegg.jp/conv/chebi/C00093\n", + "https://rest.kegg.jp/conv/pubchem/C00093\n", + "https://rest.kegg.jp/get/C00093/image\n", + "https://rest.kegg.jp/conv/chebi/C00111\n", + "https://rest.kegg.jp/conv/pubchem/C00111\n", + "https://rest.kegg.jp/get/C00111/image\n", + "https://rest.kegg.jp/conv/chebi/C00093\n", + "https://rest.kegg.jp/conv/pubchem/C00093\n", + "https://rest.kegg.jp/get/C00093/image\n", + "https://rest.kegg.jp/conv/chebi/C06468\n", + "https://rest.kegg.jp/conv/pubchem/C06468\n", + "https://rest.kegg.jp/get/C06468/image\n", + "https://rest.kegg.jp/conv/chebi/C01507\n", + "https://rest.kegg.jp/conv/pubchem/C01507\n", + "https://rest.kegg.jp/get/C01507/image\n", + "https://rest.kegg.jp/conv/chebi/C00247\n", + "https://rest.kegg.jp/conv/pubchem/C00247\n", + "https://rest.kegg.jp/get/C00247/image\n", + "https://rest.kegg.jp/conv/chebi/C00474\n", + "https://rest.kegg.jp/conv/pubchem/C00474\n", + "https://rest.kegg.jp/get/C00474/image\n", + "https://rest.kegg.jp/conv/chebi/C00309\n", + "https://rest.kegg.jp/conv/pubchem/C00309\n", + "https://rest.kegg.jp/get/C00309/image\n", + "https://rest.kegg.jp/conv/chebi/C00794\n", + "https://rest.kegg.jp/conv/pubchem/C00794\n", + "https://rest.kegg.jp/get/C00794/image\n", + "https://rest.kegg.jp/conv/chebi/C00095\n", + "https://rest.kegg.jp/conv/pubchem/C00095\n", + "https://rest.kegg.jp/get/C00095/image\n", + "https://rest.kegg.jp/conv/chebi/C02045\n", + "https://rest.kegg.jp/conv/pubchem/C02045\n", + "https://rest.kegg.jp/get/C02045/image\n", + "https://rest.kegg.jp/conv/chebi/C00379\n", + "https://rest.kegg.jp/conv/pubchem/C00379\n", + "https://rest.kegg.jp/get/C00379/image\n", + "https://rest.kegg.jp/conv/chebi/C00310\n", + "https://rest.kegg.jp/conv/pubchem/C00310\n", + "https://rest.kegg.jp/get/C00310/image\n", + "https://rest.kegg.jp/conv/chebi/C00312\n", + "https://rest.kegg.jp/conv/pubchem/C00312\n", + "https://rest.kegg.jp/get/C00312/image\n", + "https://rest.kegg.jp/conv/chebi/C01697\n", + "https://rest.kegg.jp/conv/pubchem/C01697\n", + "https://rest.kegg.jp/get/C01697/image\n", + "https://rest.kegg.jp/conv/chebi/C00795\n", + "https://rest.kegg.jp/conv/pubchem/C00795\n", + "https://rest.kegg.jp/get/C00795/image\n", + 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"https://rest.kegg.jp/get/C04734/image\n", + "https://rest.kegg.jp/conv/chebi/C00199\n", + "https://rest.kegg.jp/conv/pubchem/C00199\n", + "https://rest.kegg.jp/get/C00199/image\n", + "https://rest.kegg.jp/conv/chebi/C00067\n", + "https://rest.kegg.jp/conv/pubchem/C00067\n", + "https://rest.kegg.jp/get/C00067/image\n", + "https://rest.kegg.jp/conv/chebi/C06019\n", + "https://rest.kegg.jp/conv/pubchem/C06019\n", + "https://rest.kegg.jp/get/C06019/image\n", + "https://rest.kegg.jp/conv/chebi/C00085\n", + "https://rest.kegg.jp/conv/pubchem/C00085\n", + "https://rest.kegg.jp/get/C00085/image\n", + "https://rest.kegg.jp/conv/chebi/C00689\n", + "https://rest.kegg.jp/conv/pubchem/C00689\n", + "https://rest.kegg.jp/get/C00689/image\n" + ] + } + ], + "source": [ + "kegg_dict = {}\n", + "for cpd in compounds:\n", + " name = cpd.replace('(aq)', '').replace('(l)', '')\n", + " name = name.replace('(ag)', '').replace('(sln)', '')\n", + " if cpd in cpid:\n", + " if 'kegg:' in cpid[cpd]:\n", + " kegg_dict[cpd] = get_kegg_info(cpid[cpd].replace('kegg:', ''))" + ] + }, + { + "cell_type": "code", + "execution_count": 61, + "id": "94b8bed9", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://rest.kegg.jp/conv/chebi/C04618\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/tmp/ipykernel_368357/2848299512.py:27: UserWarning: Unable to fetch chebi from kegg correspondance URL\n", + " warnings.warn(f\"Unable to fetch {k} from kegg correspondance URL\")\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://rest.kegg.jp/conv/pubchem/C04618\n", + "https://rest.kegg.jp/get/C04618/image\n", + "https://rest.kegg.jp/conv/chebi/C00318\n", + "https://rest.kegg.jp/conv/pubchem/C00318\n", + "https://rest.kegg.jp/conv/chebi/C02636\n", + "https://rest.kegg.jp/conv/pubchem/C02636\n", + "https://rest.kegg.jp/conv/chebi/C02043\n", + "https://rest.kegg.jp/conv/pubchem/C02043\n", + 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"https://rest.kegg.jp/conv/chebi/C00429\n", + "https://rest.kegg.jp/conv/pubchem/C00429\n", + "https://rest.kegg.jp/conv/chebi/C02642\n", + "https://rest.kegg.jp/conv/pubchem/C02642\n", + "https://rest.kegg.jp/conv/chebi/C05922\n", + "https://rest.kegg.jp/conv/pubchem/C05922\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://rest.kegg.jp/get/C05922/image\n", + "https://rest.kegg.jp/conv/chebi/C09814\n", + "https://rest.kegg.jp/conv/pubchem/C09814\n", + "https://rest.kegg.jp/conv/chebi/2 C00001\n", + "https://rest.kegg.jp/conv/pubchem/2 C00001\n", + "https://rest.kegg.jp/conv/chebi/C00180\n", + "https://rest.kegg.jp/conv/pubchem/C00180\n", + "https://rest.kegg.jp/conv/chebi/C16074\n", + "https://rest.kegg.jp/conv/pubchem/C16074\n", + "https://rest.kegg.jp/conv/chebi/C02938\n", + "https://rest.kegg.jp/conv/pubchem/C02938\n", + "https://rest.kegg.jp/conv/chebi/C00954\n", + "https://rest.kegg.jp/conv/pubchem/C00954\n", + "https://rest.kegg.jp/conv/chebi/C01182\n", + "https://rest.kegg.jp/conv/pubchem/C01182\n", + "https://rest.kegg.jp/conv/chebi/C04691\n", + "https://rest.kegg.jp/conv/pubchem/C04691\n", + "https://rest.kegg.jp/conv/chebi/C00204\n", + "https://rest.kegg.jp/conv/pubchem/C00204\n", + "https://rest.kegg.jp/conv/chebi/C00108\n", + "https://rest.kegg.jp/conv/pubchem/C00108\n", + "https://rest.kegg.jp/conv/chebi/C01144\n", + "https://rest.kegg.jp/conv/pubchem/C01144\n", + "https://rest.kegg.jp/conv/chebi/C00877\n", + "https://rest.kegg.jp/conv/pubchem/C00877\n", + "https://rest.kegg.jp/conv/chebi/C04114\n", + "https://rest.kegg.jp/conv/pubchem/C04114\n", + "https://rest.kegg.jp/conv/chebi/C00203\n", + "https://rest.kegg.jp/conv/pubchem/C00203\n", + "https://rest.kegg.jp/conv/chebi/C06463\n", + "https://rest.kegg.jp/conv/pubchem/C06463\n", + "https://rest.kegg.jp/conv/chebi/C05439\n", + "https://rest.kegg.jp/conv/pubchem/C05439\n", + "https://rest.kegg.jp/conv/chebi/C05437\n", + "https://rest.kegg.jp/conv/pubchem/C05437\n", + "https://rest.kegg.jp/conv/chebi/C02798\n", + "https://rest.kegg.jp/conv/pubchem/C02798\n", + "https://rest.kegg.jp/conv/chebi/C00787\n", + "https://rest.kegg.jp/conv/pubchem/C00787\n", + "https://rest.kegg.jp/get/C00787/image\n", + "https://rest.kegg.jp/conv/chebi/C02839\n", + "https://rest.kegg.jp/conv/pubchem/C02839\n", + "https://rest.kegg.jp/conv/chebi/C01651\n", + "https://rest.kegg.jp/conv/pubchem/C01651\n", + "https://rest.kegg.jp/get/C01651/image\n", + "https://rest.kegg.jp/conv/chebi/C02992\n", + "https://rest.kegg.jp/conv/pubchem/C02992\n", + "https://rest.kegg.jp/conv/chebi/C00407\n", + "https://rest.kegg.jp/conv/pubchem/C00407\n", + "https://rest.kegg.jp/conv/chebi/C01644\n", + "https://rest.kegg.jp/conv/pubchem/C01644\n", + "https://rest.kegg.jp/get/C01644/image\n", + "https://rest.kegg.jp/conv/chebi/C03127\n", + "https://rest.kegg.jp/conv/pubchem/C03127\n", + "https://rest.kegg.jp/conv/chebi/C01646\n", + "https://rest.kegg.jp/conv/pubchem/C01646\n", + "https://rest.kegg.jp/get/C01646/image\n", + "https://rest.kegg.jp/conv/chebi/C01931\n", + "https://rest.kegg.jp/conv/pubchem/C01931\n", + "https://rest.kegg.jp/conv/chebi/C01650\n", + "https://rest.kegg.jp/conv/pubchem/C01650\n", + "https://rest.kegg.jp/get/C01650/image\n", + "https://rest.kegg.jp/conv/chebi/C02553\n", + "https://rest.kegg.jp/conv/pubchem/C02553\n", + "https://rest.kegg.jp/conv/chebi/C01636\n", + "https://rest.kegg.jp/conv/pubchem/C01636\n", + "https://rest.kegg.jp/get/C01636/image\n", + "https://rest.kegg.jp/conv/chebi/C02163\n", + "https://rest.kegg.jp/conv/pubchem/C02163\n", + "https://rest.kegg.jp/conv/chebi/C01648\n", + "https://rest.kegg.jp/conv/pubchem/C01648\n", + "https://rest.kegg.jp/get/C01648/image\n", + "https://rest.kegg.jp/conv/chebi/C03511\n", + "https://rest.kegg.jp/conv/pubchem/C03511\n", + "https://rest.kegg.jp/conv/chebi/C01643\n", + "https://rest.kegg.jp/conv/pubchem/C01643\n", + "https://rest.kegg.jp/get/C01643/image\n", + "https://rest.kegg.jp/conv/chebi/C02988\n", + "https://rest.kegg.jp/conv/pubchem/C02988\n", + "https://rest.kegg.jp/conv/chebi/C00003\n", + "https://rest.kegg.jp/conv/pubchem/C00003\n", + "https://rest.kegg.jp/conv/chebi/C00101\n", + "https://rest.kegg.jp/conv/pubchem/C00101\n", + "https://rest.kegg.jp/conv/chebi/C00143\n", + "https://rest.kegg.jp/conv/pubchem/C00143\n", + "https://rest.kegg.jp/conv/chebi/C00014\n", + "https://rest.kegg.jp/conv/pubchem/C00014\n", + "https://rest.kegg.jp/conv/chebi/C00288\n", + "https://rest.kegg.jp/conv/pubchem/C00288\n", + "https://rest.kegg.jp/conv/chebi/C03373\n", + "https://rest.kegg.jp/conv/pubchem/C03373\n", + "https://rest.kegg.jp/conv/chebi/C00288\n", + "https://rest.kegg.jp/conv/pubchem/C00288\n", + "https://rest.kegg.jp/conv/chebi/C04751\n", + "https://rest.kegg.jp/conv/pubchem/C04751\n", + "https://rest.kegg.jp/conv/chebi/C00234\n", + "https://rest.kegg.jp/conv/pubchem/C00234\n", + "https://rest.kegg.jp/conv/chebi/C00101\n", + "https://rest.kegg.jp/conv/pubchem/C00101\n", + "https://rest.kegg.jp/conv/chebi/C04734\n", + "https://rest.kegg.jp/conv/pubchem/C04734\n", + "https://rest.kegg.jp/conv/chebi/C00199\n", + "https://rest.kegg.jp/conv/pubchem/C00199\n", + "https://rest.kegg.jp/conv/chebi/C00067\n", + "https://rest.kegg.jp/conv/pubchem/C00067\n", + "https://rest.kegg.jp/conv/chebi/C06019\n", + "https://rest.kegg.jp/conv/pubchem/C06019\n", + "https://rest.kegg.jp/conv/chebi/C00085\n", + "https://rest.kegg.jp/conv/pubchem/C00085\n", + "https://rest.kegg.jp/conv/chebi/C00689\n", + "https://rest.kegg.jp/conv/pubchem/C00689\n" + ] + } + ], + "source": [ + "for cpd in compounds:\n", + " name = cpd.replace('(aq)', '').replace('(l)', '')\n", + " name = name.replace('(ag)', '').replace('(sln)', '')\n", + " if cpd not in kegg_dict:\n", + " if cpd in cpid:\n", + " if 'kegg:' in cpid[cpd]:\n", + " kegg_dict[cpd] = get_kegg_info(cpid[cpd].replace('kegg:', ''))\n", + " with open('kegg_dict.pkl', 'wb') as f:\n", + " pickle.dump(kegg_dict, f)" + ] + }, + { + "cell_type": "code", + "execution_count": 62, + "id": "6e6de928", + "metadata": { + "scrolled": true + }, + "outputs": [ + { + "data": { + "text/plain": [ + "{'benzyl alcohol(aq)': {'chebi': 'chebi:17987\\n',\n", + " 'pubchem': 'pubchem:3836\\n',\n", + " 'image': 'images/C00556.gif'},\n", + " 'NAD(aq)': {'chebi': 'chebi:15846\\n',\n", + " 'pubchem': 'pubchem:3305\\n',\n", + " 'image': 'images/C00003.gif'},\n", + " 'benzaldehyde(aq)': {'chebi': 'chebi:17169\\ncpd:C00261',\n", + " 'pubchem': 'pubchem:3559\\n',\n", + " 'image': 'images/C00261.gif'},\n", + " 'NADH(aq)': {'chebi': 'chebi:16908\\n',\n", + " 'pubchem': 'pubchem:3306\\n',\n", + " 'image': 'images/C00004.gif'},\n", + " '1-butanol(aq)': {'chebi': 'chebi:28885\\ncpd:C06142',\n", + " 'pubchem': 'pubchem:8398\\n',\n", + " 'image': 'images/C06142.gif'},\n", + " 'butanal(aq)': {'chebi': 'chebi:15743\\ncpd:C01412',\n", + " 'pubchem': 'pubchem:4600\\n',\n", + " 'image': 'images/C01412.gif'},\n", + " 'cyclohexanol(aq)': {'chebi': 'chebi:18099\\n',\n", + " 'pubchem': 'pubchem:4111\\n',\n", + " 'image': 'images/C00854.gif'},\n", + " 'cyclohexanone(aq)': {'chebi': 'chebi:17854\\n',\n", + " 'pubchem': 'pubchem:3704\\n',\n", + " 'image': 'images/C00414.gif'},\n", + " 'ethanol(aq)': {'chebi': 'chebi:16236\\n',\n", + " 'pubchem': 'pubchem:3752\\n',\n", + " 'image': 'images/C00469.gif'},\n", + " 'acetaldehyde(aq)': {'chebi': 'chebi:15343\\n',\n", + " 'pubchem': 'pubchem:3384\\n',\n", + " 'image': 'images/C00084.gif'},\n", + " 'NAD': {'chebi': 'chebi:15846\\n',\n", + " 'pubchem': 'pubchem:3305\\n',\n", + " 'image': 'images/C00003.gif'},\n", + " 'cis-3-hexene-1-ol(aq)': {'chebi': 'chebi:28857\\n',\n", + " 'pubchem': 'pubchem:10685\\n',\n", + " 'image': 'images/C08492.gif'},\n", + " 'cis-3-hexenal(aq)': {'chebi': 'chebi:23292\\n',\n", + " 'pubchem': 'pubchem:47205618\\n',\n", + " 'image': 'images/C16310.gif'},\n", + " '1-octanol(aq)': {'chebi': 'chebi:16188\\n',\n", + " 'pubchem': 'pubchem:4018\\n',\n", + " 'image': 'images/C00756.gif'},\n", + " 'octanal(aq)': {'chebi': 'chebi:17935\\n',\n", + " 'pubchem': 'pubchem:4704\\n',\n", + " 'image': 'images/C01545.gif'},\n", + " '1-propanol(aq)': {'chebi': 'chebi:28831\\n',\n", + " 'pubchem': 'pubchem:8258\\n',\n", + " 'image': 'images/C05979.gif'},\n", + " 'propanal(aq)': {'chebi': 'chebi:17153\\n',\n", + " 'pubchem': 'pubchem:3762\\n',\n", + " 'image': 'images/C00479.gif'},\n", + " '2-propanol(aq)': {'chebi': 'chebi:17824\\n',\n", + " 'pubchem': 'pubchem:4963\\n',\n", + " 'image': 'images/C01845.gif'},\n", + " 'acetone(aq)': {'chebi': 'chebi:15347\\n',\n", + " 'pubchem': 'pubchem:3507\\n',\n", + " 'image': 'images/C00207.gif'},\n", + " 'vitamin A alcohol(aq)': {'chebi': 'chebi:17336\\n',\n", + " 'pubchem': 'pubchem:3756\\n',\n", + " 'image': 'images/C00473.gif'},\n", + " 'vitamin A aldehyde(aq)': {'chebi': 'chebi:17898\\n',\n", + " 'pubchem': 'pubchem:3666\\n',\n", + " 'image': 'images/C00376.gif'},\n", + " 'L-homoserine(aq)': {'chebi': 'chebi:15699\\n',\n", + " 'pubchem': 'pubchem:3561\\n',\n", + " 'image': 'images/C00263.gif'},\n", + " 'L-aspartate 4-semialdehyde(aq)': {'chebi': 'chebi:13086\\ncpd:C00441',\n", + " 'pubchem': 'pubchem:3730\\n',\n", + " 'image': 'images/C00441.gif'},\n", + " 'NADP(aq)': {'chebi': 'chebi:18009\\n',\n", + " 'pubchem': 'pubchem:3308\\n',\n", + " 'image': 'images/C00006.gif'},\n", + " 'NADPH(aq)': {'chebi': 'chebi:16474\\n',\n", + " 'pubchem': 'pubchem:3307\\n',\n", + " 'image': 'images/C00005.gif'},\n", + " '(R,R)-2,3-butanediol(aq)': {'chebi': 'chebi:16982\\n',\n", + " 'pubchem': 'pubchem:5947\\n',\n", + " 'image': 'images/C03044.gif'},\n", + " '(R)-acetoin(aq)': {'chebi': 'chebi:15686\\ncpd:C00810',\n", + " 'pubchem': 'pubchem:4068\\n',\n", + " 'image': 'images/C00810.gif'},\n", + " 'glycerol(aq)': {'chebi': 'chebi:17754\\n',\n", + " 'pubchem': 'pubchem:3416\\n',\n", + " 'image': 'images/C00116.gif'},\n", + " 'dihydroxyacetone(aq)': {'chebi': 'chebi:16016\\n',\n", + " 'pubchem': 'pubchem:3484\\n',\n", + " 'image': 'images/C00184.gif'},\n", + " 'sn-glycerol 3-phosphate(aq)': {'chebi': 'chebi:15978\\n',\n", + " 'pubchem': 'pubchem:3393\\n',\n", + " 'image': 'images/C00093.gif'},\n", + " 'dihydroxyacetone phosphate(aq)': {'chebi': 'chebi:16108\\n',\n", + " 'pubchem': 'pubchem:3411\\n',\n", + " 'image': 'images/C00111.gif'},\n", + " 'sn-glycerol 3-phosphate': {'chebi': 'chebi:15978\\n',\n", + " 'pubchem': 'pubchem:3393\\n',\n", + " 'image': 'images/C00093.gif'},\n", + " 'D-psicose(aq)': {'chebi': 'chebi:187912\\ncpd:C06468',\n", + " 'pubchem': 'pubchem:8700\\n',\n", + " 'image': 'images/C06468.gif'},\n", + " 'L-iditol(aq)': {'chebi': 'chebi:18202\\n',\n", + " 'pubchem': 'pubchem:4675\\n',\n", + " 'image': 'images/C01507.gif'},\n", + " 'L-sorbose(aq)': {'chebi': 'chebi:48649\\n',\n", + " 'pubchem': 'pubchem:3546\\n',\n", + " 'image': 'images/C00247.gif'},\n", + " 'ribitol(aq)': {'chebi': 'chebi:15963\\n',\n", + " 'pubchem': 'pubchem:3757\\n',\n", + " 'image': 'images/C00474.gif'},\n", + " 'D-ribulose(aq)': {'chebi': 'chebi:17173\\n',\n", + " 'pubchem': 'pubchem:3603\\n',\n", + " 'image': 'images/C00309.gif'},\n", + " 'D-sorbitol(aq)': {'chebi': 'chebi:17924\\n',\n", + " 'pubchem': 'pubchem:4052\\n',\n", + " 'image': 'images/C00794.gif'},\n", + " 'D-fructose(aq)': {'chebi': 'chebi:15824\\ncpd:C00095',\n", + " 'pubchem': 'pubchem:3395\\n',\n", + " 'image': 'images/C00095.gif'},\n", + " 'L-erythrulose(aq)': {'chebi': 'chebi:23958\\ncpd:C02045',\n", + " 'pubchem': 'pubchem:5134\\n',\n", + " 'image': 'images/C02045.gif'},\n", + " 'xylitol(aq)': {'chebi': 'chebi:17151\\n',\n", + " 'pubchem': 'pubchem:3669\\n',\n", + " 'image': 'images/C00379.gif'},\n", + " 'D-xylulose(aq)': {'chebi': 'chebi:17140\\n',\n", + " 'pubchem': 'pubchem:3604\\n',\n", + " 'image': 'images/C00310.gif'},\n", + " 'L-xylulose(aq)': {'chebi': 'chebi:17399\\ncpd:C00312',\n", + " 'pubchem': 'pubchem:3606\\n',\n", + " 'image': 'images/C00312.gif'},\n", + " 'galactitol(aq)': {'chebi': 'chebi:16813\\ncpd:C01697',\n", + " 'pubchem': 'pubchem:4837\\n',\n", + " 'image': 'images/C01697.gif'},\n", + " 'D-tagatose(aq)': {'chebi': 'chebi:4249\\n',\n", + " 'pubchem': 'pubchem:4053\\n',\n", + " 'image': 'images/C00795.gif'},\n", + " 'D-mannitol(aq)': {'chebi': 'chebi:16899\\n',\n", + " 'pubchem': 'pubchem:3682\\n',\n", + " 'image': 'images/C00392.gif'},\n", + " 'D-mannitol 1-phosphate(aq)': {'chebi': 'chebi:16298\\n',\n", + " 'pubchem': 'pubchem:3917\\n',\n", + " 'image': 'images/C00644.gif'},\n", + " 'D-fructose 6-phosphate(aq)': {'chebi': 'chebi:15946\\ncpd:C00085',\n", + " 'pubchem': 'pubchem:3385\\n',\n", + " 'image': 'images/C00085.gif'},\n", + " 'D-xylose(aq)': {'chebi': 'chebi:53455\\ncpd:C00181',\n", + " 'pubchem': 'pubchem:3481\\n',\n", + " 'image': 'images/C00181.gif'},\n", + " 'quinate(aq)': {'chebi': 'chebi:29751\\ncpd:C00296',\n", + " 'pubchem': 'pubchem:3590\\n',\n", + " 'image': 'images/C00296.gif'},\n", + " '5-dehydroquinate(aq)': {'chebi': 'chebi:32364\\ncpd:C00944',\n", + " 'pubchem': 'pubchem:4196\\n',\n", + " 'image': 'images/C00944.gif'},\n", + " 'shikimate(aq)': {'chebi': 'chebi:16119\\n',\n", + " 'pubchem': 'pubchem:3776\\n',\n", + " 'image': 'images/C00493.gif'},\n", + " '3-dehydroshikimate(aq)': {'chebi': 'chebi:16630\\ncpd:C02637',\n", + " 'pubchem': 'pubchem:5617\\n',\n", + " 'image': 'images/C02637.gif'},\n", + " '(R)-glycerate(aq)': {'chebi': 'chebi:16659\\ncpd:C00258',\n", + " 'pubchem': 'pubchem:3557\\n',\n", + " 'image': 'images/C00258.gif'},\n", + " 'hydroxypyruvate(aq)': {'chebi': 'chebi:17180\\ncpd:C00168',\n", + " 'pubchem': 'pubchem:3468\\n',\n", + " 'image': 'images/C00168.gif'},\n", + " 'glycolate(aq)': {'chebi': 'chebi:29805\\ncpd:C00160',\n", + " 'pubchem': 'pubchem:3460\\n',\n", + " 'image': 'images/C00160.gif'},\n", + " 'glyoxylate(aq)': {'chebi': 'chebi:16891\\n',\n", + " 'pubchem': 'pubchem:3350\\n',\n", + " 'image': 'images/C00048.gif'},\n", + " '2-hydroxybutanoate(aq)': {'chebi': 'chebi:1148\\ncpd:C05984',\n", + " 'pubchem': 'pubchem:8262\\n',\n", + " 'image': 'images/C05984.gif'},\n", + " '2-oxobutanoate(aq)': {'chebi': 'chebi:16763\\ncpd:C00109',\n", + " 'pubchem': 'pubchem:3409\\n',\n", + " 'image': 'images/C00109.gif'},\n", + " '(S)-lactate(aq)': {'chebi': 'chebi:16651\\ncpd:C00186',\n", + " 'pubchem': 'pubchem:3486\\n',\n", + " 'image': 'images/C00186.gif'},\n", + " 'pyruvate(aq)': {'chebi': 'chebi:15361\\ncpd:C00022',\n", + " 'pubchem': 'pubchem:3324\\n',\n", + " 'image': 'images/C00022.gif'},\n", + " '(R)-lactate(aq)': {'chebi': 'chebi:16004\\ncpd:C00256',\n", + " 'pubchem': 'pubchem:3555\\n',\n", + " 'image': 'images/C00256.gif'},\n", + " '(R)-3-hydroxybutanoate(aq)': {'chebi': 'chebi:10983\\ncpd:C01089',\n", + " 'pubchem': 'pubchem:4324\\n',\n", + " 'image': 'images/C01089.gif'},\n", + " '3-oxobutanoate(aq)': {'chebi': 'chebi:13705\\ncpd:C00164',\n", + " 'pubchem': 'pubchem:3464\\n',\n", + " 'image': 'images/C00164.gif'},\n", + " '3-hydroxy-2-methylpropanoate(aq)': {'chebi': 'chebi:11805\\ncpd:C01188',\n", + " 'pubchem': 'pubchem:4414\\n',\n", + " 'image': 'images/C01188.gif'},\n", + " '2-methyl-3-oxopropanoate(aq)': {'chebi': 'chebi:16256\\ncpd:C00349',\n", + " 'pubchem': 'pubchem:3642\\n',\n", + " 'image': 'images/C00349.gif'},\n", + " '(S)-3-hydroxybutanoyl-CoA(aq)': {'chebi': 'chebi:15453\\n',\n", + " 'pubchem': 'pubchem:4375\\n',\n", + " 'image': 'images/C01144.gif'},\n", + " '3-oxobutanoyl-CoA(aq)': {'chebi': 'chebi:15345\\n',\n", + " 'pubchem': 'pubchem:3626\\n',\n", + " 'image': 'images/C00332.gif'},\n", + " '(S)-3-hydroxyhexanoyl-CoA(aq)': {'chebi': 'chebi:28276\\n',\n", + " 'pubchem': 'pubchem:7655\\n',\n", + " 'image': 'images/C05268.gif'},\n", + " '3-oxohexanoyl-CoA(aq)': {'chebi': 'chebi:27648\\n',\n", + " 'pubchem': 'pubchem:7656\\n',\n", + " 'image': 'images/C05269.gif'},\n", + " '(S)-malate(aq)': {'chebi': 'chebi:15589\\ncpd:C00149',\n", + " 'pubchem': 'pubchem:3449\\n',\n", + " 'image': 'images/C00149.gif'},\n", + " 'oxaloacetate(aq)': {'chebi': 'chebi:16452\\ncpd:C00036',\n", + " 'pubchem': 'pubchem:3338\\n',\n", + " 'image': 'images/C00036.gif'},\n", + " 'meso-tartrate(aq)': {'chebi': 'chebi:15673\\n',\n", + " 'pubchem': 'pubchem:3833\\n',\n", + " 'image': 'images/C00552.gif'},\n", + " '(E)-dihydroxyfumarate(aq)': {'chebi': 'chebi:17795\\ncpd:C00975',\n", + " 'pubchem': 'pubchem:4224\\n',\n", + " 'image': 'images/C00975.gif'},\n", + " '2-oxo-3-hydroxysuccinate(aq)': {'chebi': 'chebi:17778\\n',\n", + " 'pubchem': 'pubchem:6279\\n',\n", + " 'image': 'images/C03459.gif'},\n", + " 'L-glutamate(aq)': {'chebi': 'chebi:16015\\ncpd:C00025',\n", + " 'pubchem': 'pubchem:3327\\n',\n", + " 'image': 'images/C00025.gif'},\n", + " 'L-aspartate(aq)': {'chebi': 'chebi:17053\\ncpd:C00049',\n", + " 'pubchem': 'pubchem:3351\\n',\n", + " 'image': 'images/C00049.gif'},\n", + " '2-oxoglutarate(aq)': {'chebi': 'chebi:16810\\ncpd:C00026',\n", + " 'pubchem': 'pubchem:3328\\n',\n", + " 'image': 'images/C00026.gif'},\n", + " 'acetyl-CoA(aq)': {'chebi': 'chebi:15351\\n',\n", + " 'pubchem': 'pubchem:3326\\n',\n", + " 'image': 'images/C00024.gif'},\n", + " 'H2O(l)': {'chebi': 'chebi:15377\\ncpd:C00001',\n", + " 'pubchem': 'pubchem:3303\\n',\n", + " 'image': 'images/C00001.gif'},\n", + " 'citrate(aq)': {'chebi': 'chebi:16947\\ncpd:C00158',\n", + " 'pubchem': 'pubchem:3458\\n',\n", + " 'image': 'images/C00158.gif'},\n", + " 'CoA(aq)': {'chebi': 'chebi:15346\\n',\n", + " 'pubchem': 'pubchem:3312\\n',\n", + " 'image': 'images/C00010.gif'},\n", + " 'carbon dioxide(aq)': {'chebi': 'chebi:17544\\n',\n", + " 'pubchem': 'pubchem:3583\\n',\n", + " 'image': 'images/C00288.gif'},\n", + " 'isocitrate(aq)': {'chebi': 'chebi:16087\\ncpd:C00311',\n", + " 'pubchem': 'pubchem:3605\\n',\n", + " 'image': 'images/C00311.gif'},\n", + " '6-phospho-D-gluconate(aq)': {'chebi': 'chebi:48928\\n',\n", + " 'pubchem': 'pubchem:3638\\n',\n", + " 'image': 'images/C00345.gif'},\n", + " 'D-ribulose 5-phosphate(aq)': {'chebi': 'chebi:17363\\ncpd:C00199',\n", + " 'pubchem': 'pubchem:3499\\n',\n", + " 'image': 'images/C00199.gif'},\n", + " '-D-glucose(aq)': {'chebi': 'chebi:4167\\n',\n", + " 'pubchem': 'pubchem:3333\\n',\n", + " 'image': 'images/C00031.gif'},\n", + " 'D-glucono-1,5-lactone(aq)': {'chebi': 'chebi:16217\\n',\n", + " 'pubchem': 'pubchem:3498\\n',\n", + " 'image': 'images/C00198.gif'},\n", + " 'D-galactose(aq)': {'chebi': 'chebi:4139\\n',\n", + " 'pubchem': 'pubchem:3424\\n',\n", + " 'image': 'images/C00124.gif'},\n", + " 'D-galactono-1,4-lactone(aq)': {'chebi': 'chebi:15895\\n',\n", + " 'pubchem': 'pubchem:6218\\n',\n", + " 'image': 'images/C03383.gif'},\n", + " 'D-glucose 6-phosphate(aq)': {'chebi': 'chebi:4170\\n',\n", + " 'pubchem': 'pubchem:3392\\n',\n", + " 'image': 'images/C00092.gif'},\n", + " 'D-glucono-1,5-lactone 6-phosphate(aq)': {'chebi': 'chebi:16938\\n',\n", + " 'pubchem': 'pubchem:4457\\n',\n", + " 'image': 'images/C01236.gif'},\n", + " '4-androstene-17-ol-3-one(aq)': {'chebi': 'chebi:17347\\n',\n", + " 'pubchem': 'pubchem:3817\\n',\n", + " 'image': 'images/C00535.gif'},\n", + " '4-androstene-3,17-dione(aq)': {'chebi': 'chebi:16422\\n',\n", + " 'pubchem': 'pubchem:3575\\n',\n", + " 'image': 'images/C00280.gif'},\n", + " '1,2-propanediol(aq)': {'chebi': 'chebi:16997\\n',\n", + " 'pubchem': 'pubchem:3862\\n',\n", + " 'image': 'images/C00583.gif'},\n", + " 'L-lactaldehyde(aq)': {'chebi': 'chebi:18041\\ncpd:C00424',\n", + " 'pubchem': 'pubchem:3714\\n',\n", + " 'image': 'images/C00424.gif'},\n", + " '3-hydroxypropanoate(aq)': {'chebi': 'chebi:16510\\ncpd:C01013',\n", + " 'pubchem': 'pubchem:4258\\n',\n", + " 'image': 'images/C01013.gif'},\n", + " '3-oxopropanoate(aq)': {'chebi': 'chebi:33190\\ncpd:C00222',\n", + " 'pubchem': 'pubchem:3522\\n',\n", + " 'image': 'images/C00222.gif'},\n", + " '2-hydroxy-3-oxopropanoate(aq)': {'chebi': 'chebi:16992\\ncpd:C01146',\n", + " 'pubchem': 'pubchem:4376\\n',\n", + " 'image': 'images/C01146.gif'},\n", + " '4-hydroxybutanoate(aq)': {'chebi': 'chebi:16724\\ncpd:C00989',\n", + " 'pubchem': 'pubchem:4235\\n',\n", + " 'image': 'images/C00989.gif'},\n", + " '4-oxobutanoate(aq)': {'chebi': 'chebi:16265\\n',\n", + " 'pubchem': 'pubchem:3531\\n',\n", + " 'image': 'images/C00232.gif'},\n", + " 'estradiol-17(aq)': {'chebi': 'chebi:16469\\ncpd:C00951',\n", + " 'pubchem': 'pubchem:4202\\n',\n", + " 'image': 'images/C00951.gif'},\n", + " 'estrone(aq)': {'chebi': 'chebi:17263\\ncpd:C00468',\n", + " 'pubchem': 'pubchem:3751\\n',\n", + " 'image': 'images/C00468.gif'},\n", + " 'D-gluconate(aq)': {'chebi': 'chebi:18391\\ncpd:C00257',\n", + " 'pubchem': 'pubchem:3556\\n',\n", + " 'image': 'images/C00257.gif'},\n", + " '(R)-glyceraldehyde(aq)': {'chebi': 'chebi:17378\\n',\n", + " 'pubchem': 'pubchem:3856\\n',\n", + " 'image': 'images/C00577.gif'},\n", + " '3-phospho-D-glycerate(aq)': {'chebi': 'chebi:17794\\ncpd:C00197',\n", + " 'pubchem': 'pubchem:3497\\n',\n", + " 'image': 'images/C00197.gif'},\n", + " '3-phosphohydroxypyruvate(aq)': {'chebi': 'chebi:18110\\ncpd:C03232',\n", + " 'pubchem': 'pubchem:6103\\n',\n", + " 'image': 'images/C03232.gif'},\n", + " '-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)': {'chebi': 'chebi:16122\\ncpd:C04367',\n", + " 'pubchem': 'pubchem:7011\\n',\n", + " 'image': 'images/C04367.gif'},\n", + " '-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)': {'chebi': 'chebi:17131\\ncpd:C01244',\n", + " 'pubchem': 'pubchem:4465\\n',\n", + " 'image': 'images/C01244.gif'},\n", + " '3-hydroxybenzyl alcohol(aq)': {'chebi': 'chebi:17069\\n',\n", + " 'pubchem': 'pubchem:6192\\n',\n", + " 'image': 'images/C03351.gif'},\n", + " '3-hydroxybenzaldehyde(aq)': {'chebi': 'chebi:16207\\n',\n", + " 'pubchem': 'pubchem:5967\\n',\n", + " 'image': 'images/C03067.gif'},\n", + " '(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)': {'pubchem': 'pubchem:7208\\n',\n", + " 'image': 'images/C04618.gif'},\n", + " 'L-carnitine(aq)': {'chebi': 'chebi:16347\\n',\n", + " 'pubchem': 'pubchem:3612\\n',\n", + " 'image': 'images/C00318.gif'},\n", + " '3-dehydrocarnitine(aq)': {'chebi': 'chebi:16758\\ncpd:C02636',\n", + " 'pubchem': 'pubchem:5616\\n',\n", + " 'image': 'images/C02636.gif'},\n", + " 'indole-3-lactate(aq)': {'chebi': 'chebi:17282\\ncpd:C02043',\n", + " 'pubchem': 'pubchem:5133\\n',\n", + " 'image': 'images/C02043.gif'},\n", + " 'indole-3-pyruvate(aq)': {'chebi': 'chebi:29750\\ncpd:C00331',\n", + " 'pubchem': 'pubchem:3625\\n',\n", + " 'image': 'images/C00331.gif'},\n", + " 'D-glucose(aq)': {'chebi': 'chebi:4167\\n',\n", + " 'pubchem': 'pubchem:3333\\n',\n", + " 'image': 'images/C00031.gif'},\n", + " '5-dehydro-D-fructose(aq)': {'chebi': 'chebi:17011\\n',\n", + " 'pubchem': 'pubchem:3571\\n',\n", + " 'image': 'images/C00273.gif'},\n", + " '2-deoxy-D-gluconate(aq)': {'chebi': 'chebi:16138\\n',\n", + " 'pubchem': 'pubchem:5733\\n',\n", + " 'image': 'images/C02782.gif'},\n", + " '2-deoxy-3-dehydro-D-gluconate(aq)': {'chebi': 'chebi:16622\\ncpd:C03926',\n", + " 'pubchem': 'pubchem:6654\\n',\n", + " 'image': 'images/C03926.gif'},\n", + " 'L-threonate(aq)': {'chebi': 'chebi:49060\\ncpd:C01620',\n", + " 'pubchem': 'pubchem:4772\\n',\n", + " 'image': 'images/C01620.gif'},\n", + " '3-oxo-L-threonate(aq)': {'chebi': 'chebi:16943\\ncpd:C03064',\n", + " 'pubchem': 'pubchem:5964\\n',\n", + " 'image': 'images/C03064.gif'},\n", + " 'D-sorbitol 6-phosphate(aq)': {'chebi': 'chebi:17044\\n',\n", + " 'pubchem': 'pubchem:4331\\n',\n", + " 'image': 'images/C01096.gif'},\n", + " 'prostaglandin E1(aq)': {'chebi': 'chebi:15544\\n',\n", + " 'pubchem': 'pubchem:7312\\n',\n", + " 'image': 'images/C04741.gif'},\n", + " '15-oxo-prostaglandin E1(aq)': {'chebi': 'chebi:15548\\n',\n", + " 'pubchem': 'pubchem:7240\\n',\n", + " 'image': 'images/C04654.gif'},\n", + " '7,8-dihydrobiopterin(aq)': {'chebi': 'chebi:64277\\n',\n", + " 'pubchem': 'pubchem:5871\\n',\n", + " 'image': 'images/C02953.gif'},\n", + " 'sepiapterin(aq)': {'chebi': 'chebi:16095\\ncpd:C00835',\n", + " 'pubchem': 'pubchem:4093\\n',\n", + " 'image': 'images/C00835.gif'},\n", + " 'coniferyl alcohol(aq)': {'chebi': 'chebi:17745\\n',\n", + " 'pubchem': 'pubchem:3869\\n',\n", + " 'image': 'images/C00590.gif'},\n", + " 'coniferyl aldehyde(aq)': {'chebi': 'chebi:16547\\ncpd:C02666',\n", + " 'pubchem': 'pubchem:5637\\n',\n", + " 'image': 'images/C02666.gif'},\n", + " '(R)-2-hydroxyglutarate(aq)': {'chebi': 'chebi:15801\\ncpd:C01087',\n", + " 'pubchem': 'pubchem:4322\\n',\n", + " 'image': 'images/C01087.gif'},\n", + " '2-oxo-D-gluconate(aq)': {'chebi': 'chebi:27469\\n',\n", + " 'pubchem': 'pubchem:8705\\n',\n", + " 'image': 'images/C06473.gif'},\n", + " 'lactose(aq)': {'chebi': 'chebi:17716\\n',\n", + " 'pubchem': 'pubchem:3542\\n',\n", + " 'image': 'images/C00243.gif'},\n", + " 'cytochrome c(aq)': {'chebi': 'chebi:15991\\n',\n", + " 'pubchem': 'pubchem:3425\\n',\n", + " 'image': 'images/4 C00125.gif'},\n", + " '3-oxolactose(aq)': {'chebi': 'chebi:27571\\n',\n", + " 'pubchem': 'pubchem:7770\\n',\n", + " 'image': 'images/C05403.gif'},\n", + " 'reduced cytochrome c(aq)': {'chebi': 'chebi:16928\\n',\n", + " 'pubchem': 'pubchem:3426\\n',\n", + " 'image': 'images/4 C00126.gif'},\n", + " 'formate(aq)': {'chebi': 'chebi:15740\\ncpd:C00058',\n", + " 'pubchem': 'pubchem:3358\\n',\n", + " 'image': 'images/C00058.gif'},\n", + " 'orthophosphate(aq)': {'chebi': 'chebi:18367\\ncpd:C00009',\n", + " 'pubchem': 'pubchem:3311\\n',\n", + " 'image': 'images/C00009.gif'},\n", + " 'L-4-aspartyl phosphate(aq)': {'chebi': 'chebi:15836\\n',\n", + " 'pubchem': 'pubchem:5980\\n',\n", + " 'image': 'images/C03082.gif'},\n", + " 'L-aspartate-4-semialdehyde(aq)': {'chebi': 'chebi:13086\\ncpd:C00441',\n", + " 'pubchem': 'pubchem:3730\\n',\n", + " 'image': 'images/C00441.gif'},\n", + " 'D-glyceraldehyde 3-phosphate(aq)': {'chebi': 'chebi:29052\\n',\n", + " 'pubchem': 'pubchem:3418\\n',\n", + " 'image': 'images/C00118.gif'},\n", + " '3-phospho-D-glyceroyl phosphate(aq)': {'chebi': 'chebi:16001\\n',\n", + " 'pubchem': 'pubchem:3535\\n',\n", + " 'image': 'images/C00236.gif'},\n", + " 'ADP(aq)': {'chebi': 'chebi:16761\\n',\n", + " 'pubchem': 'pubchem:3310\\n',\n", + " 'image': 'images/C00008.gif'},\n", + " 'ATP(aq)': {'chebi': 'chebi:15422\\ncpd:C00002',\n", + " 'pubchem': 'pubchem:3304\\n',\n", + " 'image': 'images/C00002.gif'},\n", + " 'oxalyl-CoA(aq)': {'chebi': 'chebi:15535\\ncpd:C00313',\n", + " 'pubchem': 'pubchem:3607\\n',\n", + " 'image': 'images/C00313.gif'},\n", + " 'succinate(aq)': {'chebi': 'chebi:15741\\n',\n", + " 'pubchem': 'pubchem:3344\\n',\n", + " 'image': 'images/C00042.gif'},\n", + " 'O2(aq)': {'chebi': 'chebi:15379\\ncpd:C00007',\n", + " 'pubchem': 'pubchem:3309\\n',\n", + " 'image': 'images/C00007.gif'},\n", + " 'fumarate(aq)': {'chebi': 'chebi:29806\\ncpd:C00122',\n", + " 'pubchem': 'pubchem:3422\\n',\n", + " 'image': 'images/C00122.gif'},\n", + " '(S)-dihydroorotate(aq)': {'chebi': 'chebi:17025\\ncpd:C00337',\n", + " 'pubchem': 'pubchem:3630\\n',\n", + " 'image': 'images/C00337.gif'},\n", + " 'orotate(aq)': {'chebi': 'chebi:16742\\n',\n", + " 'pubchem': 'pubchem:3589\\n',\n", + " 'image': 'images/C00295.gif'},\n", + " 'L-alanine(aq)': {'chebi': 'chebi:16977\\ncpd:C00041',\n", + " 'pubchem': 'pubchem:3343\\n',\n", + " 'image': 'images/C00041.gif'},\n", + " 'ammonia(aq)': {'chebi': 'chebi:16134\\n',\n", + " 'pubchem': 'pubchem:3316\\n',\n", + " 'image': 'images/C00014.gif'},\n", + " 'L-leucine(aq)': {'chebi': 'chebi:15603\\ncpd:C00123',\n", + " 'pubchem': 'pubchem:3423\\n',\n", + " 'image': 'images/C00123.gif'},\n", + " '4-methyl-2-oxopentanoate(aq)': {'chebi': 'chebi:17865\\ncpd:C00233',\n", + " 'pubchem': 'pubchem:3532\\n',\n", + " 'image': 'images/C00233.gif'},\n", + " 'L-erythro-3,5-diaminohexanoate(aq)': {'chebi': 'chebi:15616\\ncpd:C01186',\n", + " 'pubchem': 'pubchem:4412\\n',\n", + " 'image': 'images/C01186.gif'},\n", + " '(S)-5-amino-3-oxohexanoate(aq)': {'chebi': 'chebi:27713\\ncpd:C03656',\n", + " 'pubchem': 'pubchem:6434\\n',\n", + " 'image': 'images/C03656.gif'},\n", + " '2,4-diaminopentanoate(aq)': {'chebi': 'chebi:4280\\n',\n", + " 'pubchem': 'pubchem:6667\\n',\n", + " 'image': 'images/C03943.gif'},\n", + " '2-amino-4-oxopentanoate(aq)': {'chebi': 'chebi:15914\\ncpd:C03341',\n", + " 'pubchem': 'pubchem:6184\\n',\n", + " 'image': 'images/C03341.gif'},\n", + " '(S)-proline(aq)': {'chebi': 'chebi:17203\\ncpd:C00148',\n", + " 'pubchem': 'pubchem:3448\\n',\n", + " 'image': 'images/C00148.gif'},\n", + " 'D-1-pyrroline-2-carboxylate(aq)': {'chebi': 'chebi:17425\\ncpd:C03564',\n", + " 'pubchem': 'pubchem:6356\\n',\n", + " 'image': 'images/C03564.gif'},\n", + " 'D-1-pyrroline-5-carboxylate(aq)': {'chebi': 'chebi:17388\\ncpd:C03912',\n", + " 'pubchem': 'pubchem:6642\\n',\n", + " 'image': 'images/C03912.gif'},\n", + " '7,8-dihydrofolate(aq)': {'chebi': 'chebi:15633\\ncpd:C00415',\n", + " 'pubchem': 'pubchem:3705\\n',\n", + " 'image': 'images/C00415.gif'},\n", + " 'folate(aq)': {'chebi': 'chebi:27470\\n',\n", + " 'pubchem': 'pubchem:3787\\n',\n", + " 'image': 'images/C00504.gif'},\n", + " '5,6,7,8-tetrahydrofolate(aq)': {'chebi': 'chebi:20506\\ncpd:C00101',\n", + " 'pubchem': 'pubchem:3401\\n',\n", + " 'image': 'images/C00101.gif'},\n", + " '5,10-methylenetetrahydrofolate(aq)': {'chebi': 'chebi:1989\\n',\n", + " 'pubchem': 'pubchem:3443\\n',\n", + " 'image': 'images/C00143.gif'},\n", + " '5,10-methenyltetrahydrofolate(aq)': {'chebi': 'chebi:15638\\n',\n", + " 'pubchem': 'pubchem:3733\\n',\n", + " 'image': 'images/C00445.gif'},\n", + " 'N-2-(D-1-carboxyethyl)-L-arginine(aq)': {'chebi': 'chebi:15805\\ncpd:C04137',\n", + " 'pubchem': 'pubchem:6823\\n',\n", + " 'image': 'images/C04137.gif'},\n", + " 'L-arginine(aq)': {'chebi': 'chebi:16467\\n',\n", + " 'pubchem': 'pubchem:3362\\n',\n", + " 'image': 'images/C00062.gif'},\n", + " \"2,2'-iminodipropanoate(aq)\": {'chebi': 'chebi:17560\\ncpd:C03210',\n", + " 'pubchem': 'pubchem:6085\\n',\n", + " 'image': 'images/C03210.gif'},\n", + " 'glycine(aq)': {'chebi': 'chebi:15428\\n',\n", + " 'pubchem': 'pubchem:3339\\n',\n", + " 'image': 'images/C00037.gif'},\n", + " 'L-pipecolate(aq)': {'chebi': 'chebi:30633\\ncpd:C00408',\n", + " 'pubchem': 'pubchem:3698\\n',\n", + " 'image': 'images/C00408.gif'},\n", + " 'D-1-piperidine-2-carboxylate(aq)': {'chebi': 'chebi:30912\\n',\n", + " 'pubchem': 'pubchem:6784\\n',\n", + " 'image': 'images/C04092.gif'},\n", + " 'reduced glutathione(aq)': {'chebi': 'chebi:16856\\n',\n", + " 'pubchem': 'pubchem:3353\\n',\n", + " 'image': 'images/2 C00051.gif'},\n", + " 'oxidized glutathione(aq)': {'chebi': 'chebi:17858\\ncpd:C00127',\n", + " 'pubchem': 'pubchem:3427\\n',\n", + " 'image': 'images/C00127.gif'},\n", + " 'reduced thioredoxin(aq)': {'chebi': 'chebi:15033\\ncpd:C00342',\n", + " 'pubchem': 'pubchem:3635\\n',\n", + " 'image': 'images/C00342.gif'},\n", + " 'oxidized thioredoxin(aq)': {'chebi': 'chebi:18191\\n',\n", + " 'pubchem': 'pubchem:3636\\n',\n", + " 'image': 'images/C00343.gif'},\n", + " '5-methyltetrahydrofolate(aq)': {'chebi': 'chebi:15641\\n',\n", + " 'pubchem': 'pubchem:3729\\n',\n", + " 'image': 'images/C00440.gif'},\n", + " 'flavin-adenine dinucleotide(aq)': {'chebi': 'chebi:16238\\ncpd:C00016',\n", + " 'pubchem': 'pubchem:3318\\n',\n", + " 'image': 'images/C00016.gif'},\n", + " 'reduced flavin-adenine dinucleotide(aq)': {'chebi': 'chebi:17877\\ncpd:C01352',\n", + " 'pubchem': 'pubchem:4556\\n',\n", + " 'image': 'images/C01352.gif'},\n", + " 'dihydrolipoamide(aq)': {'chebi': 'chebi:17694\\n',\n", + " 'pubchem': 'pubchem:3858\\n',\n", + " 'image': 'images/C00579.gif'},\n", + " 'lipoamide(aq)': {'chebi': 'chebi:17460\\n',\n", + " 'pubchem': 'pubchem:3547\\n',\n", + " 'image': 'images/C00248.gif'},\n", + " 'dihydro--lipoate(aq)': {'chebi': 'chebi:18047\\n',\n", + " 'pubchem': 'pubchem:5225\\n',\n", + " 'image': 'images/C02147.gif'},\n", + " '-lipoate(aq)': {'chebi': 'chebi:16494\\ncpd:C00725',\n", + " 'pubchem': 'pubchem:3990\\n',\n", + " 'image': 'images/C00725.gif'},\n", + " 'CoA-glutathione(aq)': {'chebi': 'chebi:17586\\n',\n", + " 'pubchem': 'pubchem:4174\\n',\n", + " 'image': 'images/C00920.gif'},\n", + " 'H2(aq)': {'chebi': 'chebi:18276\\n',\n", + " 'pubchem': 'pubchem:3577\\n',\n", + " 'image': 'images/C00282.gif'},\n", + " 'betaine(aq)': {'chebi': 'chebi:17750\\ncpd:C00719',\n", + " 'pubchem': 'pubchem:3985\\n',\n", + " 'image': 'images/C00719.gif'},\n", + " 'L-homocysteine(aq)': {'chebi': 'chebi:17588\\ncpd:C00155',\n", + " 'pubchem': 'pubchem:3455\\n',\n", + " 'image': 'images/C00155.gif'},\n", + " 'N,N-dimethylglycine(aq)': {'chebi': 'chebi:17724\\ncpd:C01026',\n", + " 'pubchem': 'pubchem:4271\\n',\n", + " 'image': 'images/C01026.gif'},\n", + " 'L-methionine(aq)': {'chebi': 'chebi:16643\\n',\n", + " 'pubchem': 'pubchem:3373\\n',\n", + " 'image': 'images/C00073.gif'},\n", + " 'dimethylacetothetin(aq)': {'chebi': 'chebi:4623\\n',\n", + " 'pubchem': 'pubchem:6223\\n',\n", + " 'image': 'images/C03392.gif'},\n", + " 'S-methylthioglycolate(aq)': {'chebi': 'chebi:47870\\ncpd:C03173',\n", + " 'pubchem': 'pubchem:6055\\n',\n", + " 'image': 'images/C03173.gif'},\n", + " 'trimethylsulfonium(aq)': {'chebi': 'chebi:17434\\n',\n", + " 'pubchem': 'pubchem:4253\\n',\n", + " 'image': 'images/C01008.gif'},\n", + " 'dimethylsulfide(aq)': {'chebi': 'chebi:17437\\ncpd:C00580',\n", + " 'pubchem': 'pubchem:3859\\n',\n", + " 'image': 'images/C00580.gif'},\n", + " 'S-adenosyl-L-methionine(aq)': {'chebi': 'chebi:67040\\ncpd:C00019',\n", + " 'pubchem': 'pubchem:3321\\n',\n", + " 'image': 'images/C00019.gif'},\n", + " 'S-adenosyl-L-homocysteine(aq)': {'chebi': 'chebi:16680\\ncpd:C00021',\n", + " 'pubchem': 'pubchem:3323\\n',\n", + " 'image': 'images/C00021.gif'},\n", + " 'dUMP(aq)': {'chebi': 'chebi:17622\\n',\n", + " 'pubchem': 'pubchem:3656\\n',\n", + " 'image': 'images/C00365.gif'},\n", + " 'dihydrofolate(aq)': {'chebi': 'chebi:15633\\ncpd:C00415',\n", + " 'pubchem': 'pubchem:3705\\n',\n", + " 'image': 'images/C00415.gif'},\n", + " 'dTMP(aq)': {'chebi': 'chebi:17013\\n',\n", + " 'pubchem': 'pubchem:3655\\n',\n", + " 'image': 'images/C00364.gif'},\n", + " 'L-threonine(aq)': {'chebi': 'chebi:16857\\n',\n", + " 'pubchem': 'pubchem:3488\\n',\n", + " 'image': 'images/C00188.gif'},\n", + " 'formaldehyde(aq)': {'chebi': 'chebi:16842\\n',\n", + " 'pubchem': 'pubchem:3367\\n',\n", + " 'image': 'images/C00067.gif'},\n", + " 'L-serine(aq)': {'chebi': 'chebi:17115\\n',\n", + " 'pubchem': 'pubchem:3365\\n',\n", + " 'image': 'images/C00065.gif'},\n", + " 'tetrahydrofolate(aq)': {'chebi': 'chebi:20506\\ncpd:C00101',\n", + " 'pubchem': 'pubchem:3401\\n',\n", + " 'image': 'images/C00101.gif'},\n", + " '5-formiminotetrahydrofolate(aq)': {'chebi': 'chebi:15639\\ncpd:C00664',\n", + " 'pubchem': 'pubchem:3933\\n',\n", + " 'image': 'images/C00664.gif'},\n", + " 'N-formiminoglycine(aq)': {'chebi': 'chebi:18415\\n',\n", + " 'pubchem': 'pubchem:5681\\n',\n", + " 'image': 'images/C02718.gif'},\n", + " 'N-formimino-L-glutamate(aq)': {'chebi': 'chebi:18327\\ncpd:C00439',\n", + " 'pubchem': 'pubchem:3728\\n',\n", + " 'image': 'images/C00439.gif'},\n", + " '2-hydroxymethylserine(aq)': {'chebi': 'chebi:28187\\n',\n", + " 'pubchem': 'pubchem:5959\\n',\n", + " 'image': 'images/C03059.gif'},\n", + " 'D-serine(aq)': {'chebi': 'chebi:16523\\n',\n", + " 'pubchem': 'pubchem:4003\\n',\n", + " 'image': 'images/C00740.gif'},\n", + " 'H2O(1)': {'chebi': 'chebi:15377\\ncpd:C00001',\n", + " 'pubchem': 'pubchem:3303\\n',\n", + " 'image': 'images/C00001.gif'},\n", + " '2-methylserine(aq)': {'chebi': 'chebi:74819\\ncpd:C02115',\n", + " 'pubchem': 'pubchem:5195\\n',\n", + " 'image': 'images/C02115.gif'},\n", + " 'D-alanine(aq)': {'chebi': 'chebi:15570\\n',\n", + " 'pubchem': 'pubchem:3433\\n',\n", + " 'image': 'images/C00133.gif'},\n", + " 'propanoyl-CoA(aq)': {'chebi': 'chebi:15539\\n',\n", + " 'pubchem': 'pubchem:3400\\n',\n", + " 'image': 'images/C00100.gif'},\n", + " 'methylmalonyl-CoA(aq)': {'chebi': 'chebi:16625\\n',\n", + " 'pubchem': 'pubchem:5558\\n',\n", + " 'image': 'images/C02557.gif'},\n", + " 'carbamoyl phosphate(aq)': {'chebi': 'chebi:17672\\ncpd:C00169',\n", + " 'pubchem': 'pubchem:3469\\n',\n", + " 'image': 'images/C00169.gif'},\n", + " 'L-ornithine(aq)': {'chebi': 'chebi:15729\\n',\n", + " 'pubchem': 'pubchem:3377\\n',\n", + " 'image': 'images/C00077.gif'},\n", + " 'L-citrulline(aq)': {'chebi': 'chebi:16349\\n',\n", + " 'pubchem': 'pubchem:3621\\n',\n", + " 'image': 'images/C00327.gif'},\n", + " 'guanidinoacetate(aq)': {'chebi': 'chebi:16344\\ncpd:C00581',\n", + " 'pubchem': 'pubchem:3860\\n',\n", + " 'image': 'images/C00581.gif'},\n", + " 'D-erythrose 4-phosphate(aq)': {'chebi': 'chebi:48153\\n',\n", + " 'pubchem': 'pubchem:3574\\n',\n", + " 'image': 'images/C00279.gif'},\n", + " 'D-xylulose 5-phosphate(aq)': {'chebi': 'chebi:16332\\n',\n", + " 'pubchem': 'pubchem:3530\\n',\n", + " 'image': 'images/C00231.gif'},\n", + " 'D-erythrose 4-phospahte(aq)': {'chebi': 'chebi:48153\\n',\n", + " 'pubchem': 'pubchem:3574\\n',\n", + " 'image': 'images/C00279.gif'},\n", + " 'glycolaldehyde(aq)': {'chebi': 'chebi:17071\\ncpd:C00266',\n", + " 'pubchem': 'pubchem:3564\\n',\n", + " 'image': 'images/C00266.gif'},\n", + " 'sedoheptulose 7-phosphate(aq)': {'chebi': 'chebi:15721\\n',\n", + " 'pubchem': 'pubchem:7756\\n',\n", + " 'image': 'images/C05382.gif'},\n", + " 'D-ribose 5-phosphate(aq)': {'chebi': 'chebi:17797\\ncpd:C00117',\n", + " 'pubchem': 'pubchem:3417\\n',\n", + " 'image': 'images/C00117.gif'},\n", + " 'D-glyceraldehyde-3-phosphate(aq)': {'chebi': 'chebi:29052\\n',\n", + " 'pubchem': 'pubchem:3418\\n',\n", + " 'image': 'images/C00118.gif'},\n", + " 'D-glyceraldehyde(aq)': {'chebi': 'chebi:17378\\n',\n", + " 'pubchem': 'pubchem:3856\\n',\n", + " 'image': 'images/C00577.gif'},\n", + " 'acetyl phosphate(aq)': {'chebi': 'chebi:15350\\n',\n", + " 'pubchem': 'pubchem:3527\\n',\n", + " 'image': 'images/C00227.gif'},\n", + " 'imidazole(aq)': {'chebi': 'chebi:16069\\ncpd:C01589',\n", + " 'pubchem': 'pubchem:4744\\n',\n", + " 'image': 'images/C01589.gif'},\n", + " 'N-acetylimidazole(aq)': {'chebi': 'chebi:16984\\n',\n", + " 'pubchem': 'pubchem:5560\\n',\n", + " 'image': 'images/C02560.gif'},\n", + " 'choline(aq)': {'chebi': 'chebi:15354\\ncpd:C00114',\n", + " 'pubchem': 'pubchem:3414\\n',\n", + " 'image': 'images/C00114.gif'},\n", + " 'O-acetylcholine(aq)': {'chebi': 'chebi:15355\\n',\n", + " 'pubchem': 'pubchem:5093\\n',\n", + " 'image': 'images/C01996.gif'},\n", + " 'L-acetylcarnitine(aq)': {'chebi': 'chebi:57589\\ncpd:C02571',\n", + " 'pubchem': 'pubchem:5567\\n',\n", + " 'image': 'images/C02571.gif'},\n", + " 'propionyl-CoA(aq)': {'chebi': 'chebi:15539\\n',\n", + " 'pubchem': 'pubchem:3400\\n',\n", + " 'image': 'images/C00100.gif'},\n", + " 'L-propionylcarnitine(aq)': {'chebi': 'chebi:28867\\n',\n", + " 'pubchem': 'pubchem:5923\\n',\n", + " 'image': 'images/C03017.gif'},\n", + " 'formyl-CoA(aq)': {'chebi': 'chebi:15522\\n',\n", + " 'pubchem': 'pubchem:4056\\n',\n", + " 'image': 'images/C00798.gif'},\n", + " 'formyl phosphate(aq)': {'chebi': 'chebi:16729\\n',\n", + " 'pubchem': 'pubchem:5438\\n',\n", + " 'image': 'images/C02405.gif'},\n", + " 'acetate(aq)': {'chebi': 'chebi:30089\\ncpd:C00033',\n", + " 'pubchem': 'pubchem:3335\\n',\n", + " 'image': 'images/C00033.gif'},\n", + " 'orthophospate(aq)': {'chebi': 'chebi:18367\\ncpd:C00009',\n", + " 'pubchem': 'pubchem:3311\\n',\n", + " 'image': 'images/C00009.gif'},\n", + " 'acetoacetyl-CoA(aq)': {'chebi': 'chebi:15345\\n',\n", + " 'pubchem': 'pubchem:3626\\n',\n", + " 'image': 'images/C00332.gif'},\n", + " 'palmitoyl-CoA(aq)': {'chebi': 'chebi:15525\\ncpd:C00154',\n", + " 'pubchem': 'pubchem:3454\\n',\n", + " 'image': 'images/C00154.gif'},\n", + " 'L-palmitoylcarnitine(aq)': {'chebi': 'chebi:17490\\n',\n", + " 'pubchem': 'pubchem:5899\\n',\n", + " 'image': 'images/C02990.gif'},\n", + " 'N-2-acetyl-L-ornithine(aq)': {'chebi': 'chebi:16543\\ncpd:C00437',\n", + " 'pubchem': 'pubchem:3726\\n',\n", + " 'image': 'images/C00437.gif'},\n", + " 'N-acetyl-L-glutamate(aq)': {'chebi': 'chebi:44337\\ncpd:C00624',\n", + " 'pubchem': 'pubchem:3897\\n',\n", + " 'image': 'images/C00624.gif'},\n", + " 'acyl-carrier protein(aq)': {'chebi': 'chebi:18359\\n',\n", + " 'pubchem': 'pubchem:3528\\n',\n", + " 'image': 'images/C00229.gif'},\n", + " 'acetyl-[acyl-carrier protein](aq)': {'chebi': 'chebi:17093\\n',\n", + " 'pubchem': 'pubchem:6663\\n',\n", + " 'image': 'images/C03939.gif'},\n", + " 'malonyl-CoA(aq)': {'chebi': 'chebi:15531\\n',\n", + " 'pubchem': 'pubchem:3383\\n',\n", + " 'image': 'images/C00083.gif'},\n", + " 'malonyl-[acyl-carrier protein](aq)': {'chebi': 'chebi:17330\\n',\n", + " 'pubchem': 'pubchem:4431\\n',\n", + " 'image': 'images/C01209.gif'},\n", + " 'sucrose(aq)': {'chebi': 'chebi:17992\\n',\n", + " 'pubchem': 'pubchem:3389\\n',\n", + " 'image': 'images/C00089.gif'},\n", + " '-D-glucose 1-phosphate(aq)': {'chebi': 'chebi:29042\\n',\n", + " 'pubchem': 'pubchem:3403\\n',\n", + " 'image': 'images/C00103.gif'},\n", + " 'maltose(aq)': {'chebi': 'chebi:17306\\n',\n", + " 'pubchem': 'pubchem:3508\\n',\n", + " 'image': 'images/C00208.gif'},\n", + " 'D-glucose 1-phosphate(aq)': {'chebi': 'chebi:29042\\n',\n", + " 'pubchem': 'pubchem:3403\\n',\n", + " 'image': 'images/C00103.gif'},\n", + " 'ADPglucose(aq)': {'chebi': 'chebi:15751\\n',\n", + " 'pubchem': 'pubchem:3781\\n',\n", + " 'image': 'images/C00498.gif'},\n", + " 'UDPglucose(aq)': {'chebi': 'chebi:18066\\ncpd:C00029',\n", + " 'pubchem': 'pubchem:3331\\n',\n", + " 'image': 'images/C00029.gif'},\n", + " 'UDP(aq)': {'chebi': 'chebi:17659\\ncpd:C00015',\n", + " 'pubchem': 'pubchem:3317\\n',\n", + " 'image': 'images/2 C00015.gif'},\n", + " 'sucrose 6-phosphate(aq)': {'chebi': 'chebi:131603\\n',\n", + " 'pubchem': 'pubchem:51091010\\n',\n", + " 'image': 'images/C16688.gif'},\n", + " 'UDP-glucose': {'chebi': 'chebi:18066\\ncpd:C00029',\n", + " 'pubchem': 'pubchem:3331\\n',\n", + " 'image': 'images/C00029.gif'},\n", + " 'D-glucose 6-phosphate': {'chebi': 'chebi:4170\\n',\n", + " 'pubchem': 'pubchem:3392\\n',\n", + " 'image': 'images/C00092.gif'},\n", + " 'UDP': {'chebi': 'chebi:17659\\ncpd:C00015',\n", + " 'pubchem': 'pubchem:3317\\n',\n", + " 'image': 'images/C00015.gif'},\n", + " \"alpha,alpha'-trehalose 6-phosphate\": {'chebi': 'chebi:18283\\n',\n", + " 'pubchem': 'pubchem:3958\\n',\n", + " 'image': 'images/C00689.gif'},\n", + " 'cellobiose(aq)': {'chebi': 'chebi:17057\\n',\n", + " 'pubchem': 'pubchem:3485\\n',\n", + " 'image': 'images/C00185.gif'},\n", + " 'cellotriose(aq)': {'chebi': 'chebi:3528\\n',\n", + " 'pubchem': 'pubchem:8465\\n',\n", + " 'image': 'images/C06219.gif'},\n", + " 'laminaribiose(aq)': {'chebi': 'chebi:18411\\n',\n", + " 'pubchem': 'pubchem:5137\\n',\n", + " 'image': 'images/C02048.gif'},\n", + " ',-trehalose(aq)': {'chebi': 'chebi:16551\\n',\n", + " 'pubchem': 'pubchem:4320\\n',\n", + " 'image': 'images/C01083.gif'},\n", + " '1--D-galactosyl-myo-inositol(aq)': {'chebi': 'chebi:17505\\ncpd:C01235',\n", + " 'pubchem': 'pubchem:4456\\n',\n", + " 'image': 'images/C01235.gif'},\n", + " 'raffinose(aq)': {'chebi': 'chebi:16634\\ncpd:C00492',\n", + " 'pubchem': 'pubchem:3775\\n',\n", + " 'image': 'images/C00492.gif'},\n", + " 'myo-inositol(aq)': {'chebi': 'chebi:17268\\n',\n", + " 'pubchem': 'pubchem:3437\\n',\n", + " 'image': 'images/C00137.gif'},\n", + " 'stachyose(aq)': {'chebi': 'chebi:17164\\ncpd:C01613',\n", + " 'pubchem': 'pubchem:4765\\n',\n", + " 'image': 'images/C01613.gif'},\n", + " 'sinapate(aq)': {'chebi': 'chebi:77131\\ncpd:C00482',\n", + " 'pubchem': 'pubchem:3765\\n',\n", + " 'image': 'images/C00482.gif'},\n", + " '1-sinapoyl-D-glucose(aq)': {'chebi': 'chebi:16546\\n',\n", + " 'pubchem': 'pubchem:4402\\n',\n", + " 'image': 'images/C01175.gif'},\n", + " 'adenosine(aq)': {'chebi': 'chebi:16335\\n',\n", + " 'pubchem': 'pubchem:3512\\n',\n", + " 'image': 'images/C00212.gif'},\n", + " 'adenine(aq)': {'chebi': 'chebi:16708\\ncpd:C00147',\n", + " 'pubchem': 'pubchem:3447\\n',\n", + " 'image': 'images/C00147.gif'},\n", + " 'D-ribose 1-phosphate(aq)': {'chebi': 'chebi:16300\\n',\n", + " 'pubchem': 'pubchem:3894\\n',\n", + " 'image': 'images/C00620.gif'},\n", + " \"2'-deoxyinosine(aq)\": {'chebi': 'chebi:28997\\n',\n", + " 'pubchem': 'pubchem:7859\\n',\n", + " 'image': 'images/C05512.gif'},\n", + " 'hypoxanthine(aq)': {'chebi': 'chebi:17368\\n',\n", + " 'pubchem': 'pubchem:3560\\n',\n", + " 'image': 'images/C00262.gif'},\n", + " '2-deoxy--D-ribose 1-phosphate(aq)': {'chebi': 'chebi:28542\\ncpd:C00672',\n", + " 'pubchem': 'pubchem:3941\\n',\n", + " 'image': 'images/C00672.gif'},\n", + " 'guanosine(aq)': {'chebi': 'chebi:16750\\n',\n", + " 'pubchem': 'pubchem:3677\\n',\n", + " 'image': 'images/C00387.gif'},\n", + " 'guanine(aq)': {'chebi': 'chebi:16235\\ncpd:C00242',\n", + " 'pubchem': 'pubchem:3541\\n',\n", + " 'image': 'images/C00242.gif'},\n", + " 'inosine(aq)': {'chebi': 'chebi:17596\\n',\n", + " 'pubchem': 'pubchem:3588\\n',\n", + " 'image': 'images/C00294.gif'},\n", + " 'nicotinamide(aq)': {'chebi': 'chebi:17154\\n',\n", + " 'pubchem': 'pubchem:3453\\n',\n", + " 'image': 'images/C00153.gif'},\n", + " 'nicotinamide riboside(aq)': {'chebi': 'chebi:15927\\n',\n", + " 'pubchem': 'pubchem:6038\\n',\n", + " 'image': 'images/C03150.gif'},\n", + " 'xanthosine(aq)': {'chebi': 'chebi:18107\\n',\n", + " 'pubchem': 'pubchem:4895\\n',\n", + " 'image': 'images/C01762.gif'},\n", + " 'xanthine(aq)': {'chebi': 'chebi:17712\\ncpd:C00385',\n", + " 'pubchem': 'pubchem:3675\\n',\n", + " 'image': 'images/C00385.gif'},\n", + " 'thymine(aq)': {'chebi': 'chebi:17821\\ncpd:C00178',\n", + " 'pubchem': 'pubchem:3478\\n',\n", + " 'image': 'images/C00178.gif'},\n", + " 'uridine(aq)': {'chebi': 'chebi:16704\\n',\n", + " 'pubchem': 'pubchem:3593\\n',\n", + " 'image': 'images/C00299.gif'},\n", + " 'uracil(aq)': {'chebi': 'chebi:17568\\n',\n", + " 'pubchem': 'pubchem:3406\\n',\n", + " 'image': 'images/C00106.gif'},\n", + " 'thymidine(aq)': {'chebi': 'chebi:17748\\n',\n", + " 'pubchem': 'pubchem:3514\\n',\n", + " 'image': 'images/C00214.gif'},\n", + " \"2'-deoxyadenosine(aq)\": {'chebi': 'chebi:17256\\n',\n", + " 'pubchem': 'pubchem:3839\\n',\n", + " 'image': 'images/C00559.gif'},\n", + " '5-phospho--D-ribose 1-diphosphate(aq)': {'chebi': 'chebi:17111\\n',\n", + " 'pubchem': 'pubchem:3419\\n',\n", + " 'image': 'images/C00119.gif'},\n", + " 'AMP(aq)': {'chebi': 'chebi:16027\\n',\n", + " 'pubchem': 'pubchem:3322\\n',\n", + " 'image': 'images/C00020.gif'},\n", + " 'pyrophosphate(aq)': {'chebi': 'chebi:18361\\ncpd:C00013',\n", + " 'pubchem': 'pubchem:3315\\n',\n", + " 'image': 'images/C00013.gif'},\n", + " 'GMP(aq)': {'chebi': 'chebi:17345\\n',\n", + " 'pubchem': 'pubchem:3444\\n',\n", + " 'image': 'images/C00144.gif'},\n", + " 'IMP(aq)': {'chebi': 'chebi:17202\\n',\n", + " 'pubchem': 'pubchem:3430\\n',\n", + " 'image': 'images/C00130.gif'},\n", + " \"orotidine 5'-phosphate(aq)\": {'chebi': 'chebi:15842\\ncpd:C01103',\n", + " 'pubchem': 'pubchem:4337\\n',\n", + " 'image': 'images/C01103.gif'},\n", + " '2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq)': {'chebi': 'chebi:16629\\ncpd:C04752',\n", + " 'pubchem': 'pubchem:7322\\n',\n", + " 'image': 'images/C04752.gif'},\n", + " '4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq)': {'chebi': 'chebi:17857\\ncpd:C04327',\n", + " 'pubchem': 'pubchem:6980\\n',\n", + " 'image': 'images/C04327.gif'},\n", + " 'thiamine monophosphate(aq)': {'chebi': 'chebi:9533\\n',\n", + " 'pubchem': 'pubchem:4319\\n',\n", + " 'image': 'images/C01081.gif'},\n", + " 'erythro-3-hydroxyaspartate(aq)': {'pubchem': 'pubchem:135626305\\n',\n", + " 'image': 'images/C19838.gif'},\n", + " '2-oxo-3-hydroxybutanedioic acid(aq)': {'chebi': 'chebi:17778\\n',\n", + " 'pubchem': 'pubchem:6279\\n',\n", + " 'image': 'images/C03459.gif'},\n", + " 'L-histidinol phosphate(aq)': {'chebi': 'chebi:16996\\n',\n", + " 'pubchem': 'pubchem:4334\\n',\n", + " 'image': 'images/C01100.gif'},\n", + " '3-(imidazol-4-yl)-2-oxopropyl phosphate(aq)': {'chebi': 'chebi:16426\\ncpd:C01267',\n", + " 'pubchem': 'pubchem:4486\\n',\n", + " 'image': 'images/C01267.gif'},\n", + " 'DL-D-1-pyrroline-5-carboxylate(aq)': {'chebi': 'chebi:17388\\ncpd:C03912',\n", + " 'pubchem': 'pubchem:6642\\n',\n", + " 'image': 'images/C03912.gif'},\n", + " 'L-glutamine(aq)': {'chebi': 'chebi:18050\\n',\n", + " 'pubchem': 'pubchem:3364\\n',\n", + " 'image': 'images/C00064.gif'},\n", + " '2-oxoglutaramate(aq)': {'chebi': 'chebi:16769\\ncpd:C00940',\n", + " 'pubchem': 'pubchem:4192\\n',\n", + " 'image': 'images/C00940.gif'},\n", + " 'N-succinyl-2-L-amino-6-oxoheptanedioate(aq)': {'chebi': 'chebi:15685\\ncpd:C04462',\n", + " 'pubchem': 'pubchem:7087\\n',\n", + " 'image': 'images/C04462.gif'},\n", + " 'N-succinyl-L-2,6-diaminoheptanedioate(aq)': {'chebi': 'chebi:17279\\ncpd:C04421',\n", + " 'pubchem': 'pubchem:7053\\n',\n", + " 'image': 'images/C04421.gif'},\n", + " 'L-alanine': {'chebi': 'chebi:16977\\ncpd:C00041',\n", + " 'pubchem': 'pubchem:3343\\n',\n", + " 'image': 'images/C00041.gif'},\n", + " '3-oxopropanoate': {'chebi': 'chebi:33190\\ncpd:C00222',\n", + " 'pubchem': 'pubchem:3522\\n',\n", + " 'image': 'images/C00222.gif'},\n", + " 'beta-alanine': {'chebi': 'chebi:16958\\n',\n", + " 'pubchem': 'pubchem:3399\\n',\n", + " 'image': 'images/C00099.gif'},\n", + " 'pyruvate': {'chebi': 'chebi:15361\\ncpd:C00022',\n", + " 'pubchem': 'pubchem:3324\\n',\n", + " 'image': 'images/C00022.gif'},\n", + " '4-aminobutanoate(aq)': {'chebi': 'chebi:30566\\ncpd:C00334',\n", + " 'pubchem': 'pubchem:3628\\n',\n", + " 'image': 'images/C00334.gif'},\n", + " 'D-glutamate(aq)': {'chebi': 'chebi:15966\\ncpd:C00217',\n", + " 'pubchem': 'pubchem:3517\\n',\n", + " 'image': 'images/C00217.gif'},\n", + " 'pyridoxamine(aq)': {'chebi': 'chebi:16410\\n',\n", + " 'pubchem': 'pubchem:3816\\n',\n", + " 'image': 'images/C00534.gif'},\n", + " 'pyridoxal(aq)': {'chebi': 'chebi:17310\\n',\n", + " 'pubchem': 'pubchem:3549\\n',\n", + " 'image': 'images/C00250.gif'},\n", + " 'dTDP-4-amino-4,6-dideoxy-D-glucose(aq)': {'chebi': 'chebi:15952\\ncpd:C04268',\n", + " 'pubchem': 'pubchem:6932\\n',\n", + " 'image': 'images/C04268.gif'},\n", + " 'dTDP-4-dehydro-6-deoxy-D-glucose(aq)': {'chebi': 'chebi:16128\\n',\n", + " 'pubchem': 'pubchem:14069\\n',\n", + " 'image': 'images/C11907.gif'},\n", + " 'L-2-aminoadipate(aq)': {'chebi': 'chebi:37023\\n',\n", + " 'pubchem': 'pubchem:4207\\n',\n", + " 'image': 'images/C00956.gif'},\n", + " '2-oxoadipate(aq)': {'chebi': 'chebi:15753\\n',\n", + " 'pubchem': 'pubchem:3616\\n',\n", + " 'image': 'images/C00322.gif'},\n", + " '3-phosphonooxypyruvate(aq)': {'chebi': 'chebi:18110\\ncpd:C03232',\n", + " 'pubchem': 'pubchem:6103\\n',\n", + " 'image': 'images/C03232.gif'},\n", + " 'O-phospho-L-serine(aq)': {'chebi': 'chebi:15811\\n',\n", + " 'pubchem': 'pubchem:4251\\n',\n", + " 'image': 'images/C01005.gif'},\n", + " 'D-mannose(aq)': {'chebi': 'chebi:4208\\n',\n", + " 'pubchem': 'pubchem:3459\\n',\n", + " 'image': 'images/C00159.gif'},\n", + " 'D-mannose 6-phosphate(aq)': {'chebi': 'chebi:17369\\ncpd:C00275',\n", + " 'pubchem': 'pubchem:3572\\n',\n", + " 'image': 'images/C00275.gif'},\n", + " 'D-galactose 1-phosphate(aq)': {'chebi': 'chebi:37480\\n',\n", + " 'pubchem': 'pubchem:6219\\n',\n", + " 'image': 'images/C03384.gif'},\n", + " 'D-fructose 1,6-bisphosphate(aq)': {'chebi': 'chebi:16905\\ncpd:C00354',\n", + " 'pubchem': 'pubchem:3647\\n',\n", + " 'image': 'images/C00354.gif'},\n", + " \"3'-dephospho-CoA(aq)\": {'chebi': 'chebi:15468\\n',\n", + " 'pubchem': 'pubchem:4138\\n',\n", + " 'image': 'images/C00882.gif'},\n", + " 'phosphoenolpyruvate(aq)': {'chebi': 'chebi:18021\\ncpd:C00074',\n", + " 'pubchem': 'pubchem:3374\\n',\n", + " 'image': 'images/C00074.gif'},\n", + " '1-phosphatidyl-1D-myo-inositol(aq)': {'chebi': 'chebi:16749\\n',\n", + " 'pubchem': 'pubchem:4419\\n',\n", + " 'image': 'images/C01194.gif'},\n", + " '1-phosphatidyl-1D-myo-inositol 4-phosphate(aq)': {'chebi': 'chebi:17526\\ncpd:C01277',\n", + " 'pubchem': 'pubchem:4496\\n',\n", + " 'image': 'images/C01277.gif'},\n", + " 'ammonium carbamate(aq)': {'chebi': 'chebi:28616\\n',\n", + " 'pubchem': 'pubchem:4721\\n',\n", + " 'image': 'images/C01563.gif'},\n", + " '4-phospho-L-aspartate(aq)': {'chebi': 'chebi:15836\\n',\n", + " 'pubchem': 'pubchem:5980\\n',\n", + " 'image': 'images/C03082.gif'},\n", + " 'phosphoguanidinoacetate(aq)': {'chebi': 'chebi:16034\\ncpd:C03166',\n", + " 'pubchem': 'pubchem:6049\\n',\n", + " 'image': 'images/C03166.gif'},\n", + " 'creatine(aq)': {'chebi': 'chebi:16919\\n',\n", + " 'pubchem': 'pubchem:3594\\n',\n", + " 'image': 'images/C00300.gif'},\n", + " 'phosphocreatine(aq)': {'chebi': 'chebi:17287\\n',\n", + " 'pubchem': 'pubchem:5359\\n',\n", + " 'image': 'images/C02305.gif'},\n", + " 'N-w-phospho-L-arginine(aq)': {'chebi': 'chebi:18412\\n',\n", + " 'pubchem': 'pubchem:8229\\n',\n", + " 'image': 'images/C05945.gif'},\n", + " 'taurocyamine(aq)': {'chebi': 'chebi:17228\\n',\n", + " 'pubchem': 'pubchem:5060\\n',\n", + " 'image': 'images/C01959.gif'},\n", + " 'N-w-phosphotaurocyamine(aq)': {'chebi': 'chebi:16621\\n',\n", + " 'pubchem': 'pubchem:6037\\n',\n", + " 'image': 'images/C03149.gif'},\n", + " 'lombricine(aq)': {'chebi': 'chebi:16585\\n',\n", + " 'pubchem': 'pubchem:7846989\\n',\n", + " 'image': 'images/C14177.gif'},\n", + " 'N-w-phospholombricine(aq)': {'chebi': 'chebi:18039\\n',\n", + " 'pubchem': 'pubchem:7846990\\n',\n", + " 'image': 'images/C14178.gif'},\n", + " '(R)-5-phosphomevalonate(aq)': {'chebi': 'chebi:17436\\ncpd:C01107',\n", + " 'pubchem': 'pubchem:4339\\n',\n", + " 'image': 'images/C01107.gif'},\n", + " '(R)-5-diphosphomevalonate(aq)': {'chebi': 'chebi:15899\\ncpd:C01143',\n", + " 'pubchem': 'pubchem:4374\\n',\n", + " 'image': 'images/C01143.gif'},\n", + " 'dADP(aq)': {'chebi': 'chebi:16174\\ncpd:C00206',\n", + " 'pubchem': 'pubchem:3506\\n',\n", + " 'image': 'images/2 C00206.gif'},\n", + " 'dAMP(aq)': {'chebi': 'chebi:17713\\n',\n", + " 'pubchem': 'pubchem:3651\\n',\n", + " 'image': 'images/C00360.gif'},\n", + " 'dATP(aq)': {'chebi': 'chebi:16284\\n',\n", + " 'pubchem': 'pubchem:3431\\n',\n", + " 'image': 'images/C00131.gif'},\n", + " \"adenosine 5'-tetraphosphate(aq)\": {'chebi': 'chebi:18334\\ncpd:C03483',\n", + " 'pubchem': 'pubchem:6295\\n',\n", + " 'image': 'images/C03483.gif'},\n", + " 'UTP(aq)': {'chebi': 'chebi:15713\\n',\n", + " 'pubchem': 'pubchem:3375\\n',\n", + " 'image': 'images/C00075.gif'},\n", + " 'UMP(aq)': {'chebi': 'chebi:16695\\n',\n", + " 'pubchem': 'pubchem:3405\\n',\n", + " 'image': 'images/C00105.gif'},\n", + " \"inosine 5'-diphosphate(aq)\": {'chebi': 'chebi:17808\\ncpd:C00104',\n", + " 'pubchem': 'pubchem:3404\\n',\n", + " 'image': 'images/C00104.gif'},\n", + " \"inosine 5'-triphosphate(aq)\": {'chebi': 'chebi:16039\\ncpd:C00081',\n", + " 'pubchem': 'pubchem:3381\\n',\n", + " 'image': 'images/C00081.gif'},\n", + " 'GDP(aq)': {'chebi': 'chebi:17552\\ncpd:C00035',\n", + " 'pubchem': 'pubchem:3337\\n',\n", + " 'image': 'images/C00035.gif'},\n", + " 'GTP(aq)': {'chebi': 'chebi:15996\\n',\n", + " 'pubchem': 'pubchem:3346\\n',\n", + " 'image': 'images/C00044.gif'},\n", + " 'dGMP(aq)': {'chebi': 'chebi:16192\\n',\n", + " 'pubchem': 'pubchem:3653\\n',\n", + " 'image': 'images/C00362.gif'},\n", + " 'dGDP(aq)': {'chebi': 'chebi:28862\\ncpd:C00361',\n", + " 'pubchem': 'pubchem:3652\\n',\n", + " 'image': 'images/C00361.gif'},\n", + " 'dTDP(aq)': {'chebi': 'chebi:18075\\n',\n", + " 'pubchem': 'pubchem:3654\\n',\n", + " 'image': 'images/C00363.gif'},\n", + " 'CMP(aq)': {'chebi': 'chebi:17361\\ncpd:C00055',\n", + " 'pubchem': 'pubchem:3357\\n',\n", + " 'image': 'images/C00055.gif'},\n", + " 'CDP(aq)': {'chebi': 'chebi:17239\\n',\n", + " 'pubchem': 'pubchem:3412\\n',\n", + " 'image': 'images/C00112.gif'},\n", + " 'dCMP(aq)': {'chebi': 'chebi:15918\\n',\n", + " 'pubchem': 'pubchem:3538\\n',\n", + " 'image': 'images/C00239.gif'},\n", + " 'dCDP(aq)': {'chebi': 'chebi:28846\\n',\n", + " 'pubchem': 'pubchem:3972\\n',\n", + " 'image': 'images/C00705.gif'},\n", + " 'ATP': {'chebi': 'chebi:15422\\ncpd:C00002',\n", + " 'pubchem': 'pubchem:3304\\n',\n", + " 'image': 'images/C00002.gif'},\n", + " 'beta-Nicotinamide mononucleotide': {'chebi': 'chebi:16171\\n',\n", + " 'pubchem': 'pubchem:3741\\n',\n", + " 'image': 'images/C00455.gif'},\n", + " 'pyrophosphate': {'chebi': 'chebi:18361\\ncpd:C00013',\n", + " 'pubchem': 'pubchem:3315\\n',\n", + " 'image': 'images/C00013.gif'},\n", + " 'sulfate(aq)': {'chebi': 'chebi:16189\\ncpd:C00059',\n", + " 'pubchem': 'pubchem:3359\\n',\n", + " 'image': 'images/C00059.gif'},\n", + " \"adenosine 5'-phosphosulfate(aq)\": {'chebi': 'chebi:17709\\ncpd:C00224',\n", + " 'pubchem': 'pubchem:3524\\n',\n", + " 'image': 'images/C00224.gif'},\n", + " 'dTTP(aq)': {'chebi': 'chebi:18077\\n',\n", + " 'pubchem': 'pubchem:3743\\n',\n", + " 'image': 'images/C00459.gif'},\n", + " 'UDPgalactose(aq)': {'chebi': 'chebi:18307\\ncpd:C00052',\n", + " 'pubchem': 'pubchem:3354\\n',\n", + " 'image': 'images/C00052.gif'},\n", + " '-D-galactose 1-phosphate(aq)': {'chebi': 'chebi:37480\\n',\n", + " 'pubchem': 'pubchem:6219\\n',\n", + " 'image': 'images/C03384.gif'},\n", + " 'D-mannose 1-phosphate(aq)': {'chebi': 'chebi:35374\\ncpd:C00636',\n", + " 'pubchem': 'pubchem:3909\\n',\n", + " 'image': 'images/C00636.gif'},\n", + " 'GDPmannose(aq)': {'chebi': 'chebi:15820\\ncpd:C00096',\n", + " 'pubchem': 'pubchem:3396\\n',\n", + " 'image': 'images/C00096.gif'},\n", + " 'CTP(aq)': {'chebi': 'chebi:17677\\n',\n", + " 'pubchem': 'pubchem:3363\\n',\n", + " 'image': 'images/C00063.gif'},\n", + " 'O-phosphorylethanolamine(aq)': {'chebi': 'chebi:17553\\n',\n", + " 'pubchem': 'pubchem:3639\\n',\n", + " 'image': 'images/C00346.gif'},\n", + " 'CDPethanolamine(aq)': {'chebi': 'chebi:16732\\n',\n", + " 'pubchem': 'pubchem:3849\\n',\n", + " 'image': 'images/C00570.gif'},\n", + " 'phosphorylcholine(aq)': {'chebi': 'chebi:18132\\ncpd:C00588',\n", + " 'pubchem': 'pubchem:3867\\n',\n", + " 'image': 'images/C00588.gif'},\n", + " 'CDPcholine(aq)': {'chebi': 'chebi:16436\\n',\n", + " 'pubchem': 'pubchem:3601\\n',\n", + " 'image': 'images/C00307.gif'},\n", + " 'N-acetyl--D-glucosamine 1-phosphate(aq)': {'chebi': 'chebi:7125\\n',\n", + " 'pubchem': 'pubchem:6921\\n',\n", + " 'image': 'images/C04256.gif'},\n", + " 'UDP-N-acetyl-D-glucosamine(aq)': {'chebi': 'chebi:16264\\n',\n", + " 'pubchem': 'pubchem:3345\\n',\n", + " 'image': 'images/C00043.gif'},\n", + " 'dTDPglucose(aq)': {'chebi': 'chebi:15700\\n',\n", + " 'pubchem': 'pubchem:4099\\n',\n", + " 'image': 'images/C00842.gif'},\n", + " 'CDPglucose(aq)': {'chebi': 'chebi:28942\\n',\n", + " 'pubchem': 'pubchem:3784\\n',\n", + " 'image': 'images/C00501.gif'},\n", + " 'GDPglucose(aq)': {'chebi': 'chebi:29062\\ncpd:C00394',\n", + " 'pubchem': 'pubchem:3684\\n',\n", + " 'image': 'images/C00394.gif'},\n", + " '[L-glutamate:ammonia ligase(ADP-forming)](aq)': {'pubchem': 'pubchem:4500\\n',\n", + " 'image': 'images/C01281.gif'},\n", + " 'adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq)': {'pubchem': 'pubchem:4517\\n',\n", + " 'image': 'images/C01299.gif'},\n", + " '1-phospho--D-glucuronate(aq)': {'chebi': 'chebi:28547\\ncpd:C05385',\n", + " 'pubchem': 'pubchem:7759\\n',\n", + " 'image': 'images/C05385.gif'},\n", + " 'UDP-D-glucuronate(aq)': {'chebi': 'chebi:17200\\n',\n", + " 'pubchem': 'pubchem:3467\\n',\n", + " 'image': 'images/C00167.gif'},\n", + " 'succinyl-CoA(aq)': {'chebi': 'chebi:15380\\ncpd:C00091',\n", + " 'pubchem': 'pubchem:3391\\n',\n", + " 'image': 'images/C00091.gif'},\n", + " 'acetoacetate(aq)': {'chebi': 'chebi:13705\\ncpd:C00164',\n", + " 'pubchem': 'pubchem:3464\\n',\n", + " 'image': 'images/C00164.gif'},\n", + " 'acetylcholine(aq)': {'chebi': 'chebi:15355\\n',\n", + " 'pubchem': 'pubchem:5093\\n',\n", + " 'image': 'images/C01996.gif'},\n", + " 'retinyl palmitate(aq)': {'chebi': 'chebi:17616\\n',\n", + " 'pubchem': 'pubchem:5580\\n',\n", + " 'image': 'images/C02588.gif'},\n", + " 'retinol(aq)': {'chebi': 'chebi:17336\\n',\n", + " 'pubchem': 'pubchem:3756\\n',\n", + " 'image': 'images/C00473.gif'},\n", + " 'palmitate(aq)': {'chebi': 'chebi:15756\\n',\n", + " 'pubchem': 'pubchem:3548\\n',\n", + " 'image': 'images/C00249.gif'},\n", + " 'acetyl phosphate-2-(aq)': {'chebi': 'chebi:15350\\n',\n", + " 'pubchem': 'pubchem:3527\\n',\n", + " 'image': 'images/C00227.gif'},\n", + " 'acetate-(aq)': {'chebi': 'chebi:30089\\ncpd:C00033',\n", + " 'pubchem': 'pubchem:3335\\n',\n", + " 'image': 'images/C00033.gif'},\n", + " 'HPO4-2-(aq)': {'chebi': 'chebi:18367\\ncpd:C00009',\n", + " 'pubchem': 'pubchem:3311\\n',\n", + " 'image': 'images/C00009.gif'},\n", + " 'ADP-3-(aq)': {'chebi': 'chebi:16761\\n',\n", + " 'pubchem': 'pubchem:3310\\n',\n", + " 'image': 'images/C00008.gif'},\n", + " 'AMP-2--(aq)': {'chebi': 'chebi:16027\\n',\n", + " 'pubchem': 'pubchem:3322\\n',\n", + " 'image': 'images/C00020.gif'},\n", + " 'D-fructose 1-phosphate(aq)': {'chebi': 'chebi:18105\\ncpd:C01094',\n", + " 'pubchem': 'pubchem:4329\\n',\n", + " 'image': 'images/C01094.gif'},\n", + " 'D-galactose 6-phosphate(aq)': {'chebi': 'chebi:17733\\ncpd:C01113',\n", + " 'pubchem': 'pubchem:4345\\n',\n", + " 'image': 'images/C01113.gif'},\n", + " '4-nitrophenyl phosphate(aq)': {'chebi': 'chebi:17440\\n',\n", + " 'pubchem': 'pubchem:6198\\n',\n", + " 'image': 'images/C03360.gif'},\n", + " '4-nitrophenol(aq)': {'chebi': 'chebi:16836\\n',\n", + " 'pubchem': 'pubchem:4127\\n',\n", + " 'image': 'images/C00870.gif'},\n", + " 'phenyl phosphate(aq)': {'chebi': 'chebi:37548\\n',\n", + " 'pubchem': 'pubchem:5695\\n',\n", + " 'image': 'images/C02734.gif'},\n", + " 'phenol(aq)': {'chebi': 'chebi:15882\\n',\n", + " 'pubchem': 'pubchem:3446\\n',\n", + " 'image': 'images/C00146.gif'},\n", + " '(R)-3-phosphoglycerate(aq)': {'chebi': 'chebi:17794\\ncpd:C00197',\n", + " 'pubchem': 'pubchem:3497\\n',\n", + " 'image': 'images/C00197.gif'},\n", + " 'phosphoenolpyruvate3-(aq)': {'chebi': 'chebi:18021\\ncpd:C00074',\n", + " 'pubchem': 'pubchem:3374\\n',\n", + " 'image': 'images/C00074.gif'},\n", + " 'pyruvate-(aq)': {'chebi': 'chebi:15361\\ncpd:C00022',\n", + " 'pubchem': 'pubchem:3324\\n',\n", + " 'image': 'images/C00022.gif'},\n", + " 'L-O-phosphoserine(aq)': {'chebi': 'chebi:15811\\n',\n", + " 'pubchem': 'pubchem:4251\\n',\n", + " 'image': 'images/C01005.gif'},\n", + " 'phosphotaurocyamine(aq)': {'chebi': 'chebi:16621\\n',\n", + " 'pubchem': 'pubchem:6037\\n',\n", + " 'image': 'images/C03149.gif'},\n", + " 'D-ribose(aq)': {'chebi': 'chebi:47013\\n',\n", + " 'pubchem': 'pubchem:3421\\n',\n", + " 'image': 'images/C00121.gif'},\n", + " \"adenosine 3':5'-(cyclic)phosphate(aq)\": {'chebi': 'chebi:17489\\n',\n", + " 'pubchem': 'pubchem:3854\\n',\n", + " 'image': 'images/C00575.gif'},\n", + " \"2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq)\": {'chebi': 'chebi:28074\\n',\n", + " 'pubchem': 'pubchem:4218\\n',\n", + " 'image': 'images/C00968.gif'},\n", + " \"2'-deoxyadenosine 5'-monophosphate(aq)\": {'chebi': 'chebi:17713\\n',\n", + " 'pubchem': 'pubchem:3651\\n',\n", + " 'image': 'images/C00360.gif'},\n", + " \"guanosine 3':5'-(cyclic)phosphate(aq)\": {'chebi': 'chebi:16356\\n',\n", + " 'pubchem': 'pubchem:4194\\n',\n", + " 'image': 'images/C00942.gif'},\n", + " \"inosine 3':5'-(cyclic)phosphate(aq)\": {'chebi': 'chebi:27541\\n',\n", + " 'pubchem': 'pubchem:4195\\n',\n", + " 'image': 'images/C00943.gif'},\n", + " \"adenosine 3'-monophosphate(aq)\": {'chebi': 'chebi:28931\\n',\n", + " 'pubchem': 'pubchem:4566\\n',\n", + " 'image': 'images/C01367.gif'},\n", + " 'maltotetraose(aq)': {'chebi': 'chebi:28460\\ncpd:C02052',\n", + " 'pubchem': 'pubchem:5141\\n',\n", + " 'image': 'images/C02052.gif'},\n", + " 'isomaltose(aq)': {'chebi': 'chebi:28189\\n',\n", + " 'pubchem': 'pubchem:3551\\n',\n", + " 'image': 'images/C00252.gif'},\n", + " 'isomaltotriose(aq)': {'chebi': 'chebi:27649\\n',\n", + " 'pubchem': 'pubchem:5236\\n',\n", + " 'image': 'images/C02160.gif'},\n", + " 'maltohexaose(aq)': {'chebi': 'chebi:27445\\ncpd:C01936',\n", + " 'pubchem': 'pubchem:5041\\n',\n", + " 'image': 'images/C01936.gif'},\n", + " 'maltotriose(aq)': {'chebi': 'chebi:27931\\ncpd:C01835',\n", + " 'pubchem': 'pubchem:4954\\n',\n", + " 'image': 'images/C01835.gif'},\n", + " 'panose(aq)': {'chebi': 'chebi:7912\\n',\n", + " 'pubchem': 'pubchem:3979\\n',\n", + " 'image': 'images/C00713.gif'},\n", + " 'palatinose(aq)': {'chebi': 'chebi:18394\\n',\n", + " 'pubchem': 'pubchem:4876\\n',\n", + " 'image': 'images/C01742.gif'},\n", + " 'D-turanose(aq)': {'pubchem': 'pubchem:124490288\\n',\n", + " 'image': 'images/C19636.gif'},\n", + " '-gentiobiose(aq)': {'chebi': 'chebi:28066\\ncpd:C08240',\n", + " 'pubchem': 'pubchem:10439\\n',\n", + " 'image': 'images/C08240.gif'},\n", + " '-D-melibiose(aq)': {'chebi': 'chebi:28053\\n',\n", + " 'pubchem': 'pubchem:7769\\n',\n", + " 'image': 'images/C05402.gif'},\n", + " 'lactulose(aq)': {'chebi': 'chebi:6359\\n',\n", + " 'pubchem': 'pubchem:9276\\n',\n", + " 'image': 'images/C07064.gif'},\n", + " 'ADPribose(aq)': {'chebi': 'chebi:16864\\n',\n", + " 'pubchem': 'pubchem:4995\\n',\n", + " 'image': 'images/C01882.gif'},\n", + " 'L-asparagine(aq)': {'chebi': 'chebi:17196\\n',\n", + " 'pubchem': 'pubchem:3452\\n',\n", + " 'image': 'images/C00152.gif'},\n", + " 'carbamate(aq)': {'chebi': 'chebi:28616\\n',\n", + " 'pubchem': 'pubchem:4721\\n',\n", + " 'image': 'images/C01563.gif'},\n", + " 'urea(aq)': {'chebi': 'chebi:16199\\ncpd:C00086',\n", + " 'pubchem': 'pubchem:3386\\n',\n", + " 'image': 'images/C00086.gif'},\n", + " 'cephalothin(aq)': {'chebi': 'chebi:124991\\n',\n", + " 'pubchem': 'pubchem:9963\\n',\n", + " 'image': 'images/C07761.gif'},\n", + " '2-thienylacetic acid(aq)': {'chebi': 'chebi:45807\\n',\n", + " 'pubchem': 'pubchem:5586\\n',\n", + " 'image': 'images/C02595.gif'},\n", + " '7-aminocephalosporanic acid(aq)': {'chebi': 'chebi:2255\\n',\n", + " 'pubchem': 'pubchem:9958\\n',\n", + " 'image': 'images/C07756.gif'},\n", + " 'penicillin G(aq)': {'chebi': 'chebi:18208\\n',\n", + " 'pubchem': 'pubchem:7885\\n',\n", + " 'image': 'images/C05551.gif'},\n", + " '6-aminopenicillanic acid(aq)': {'chebi': 'chebi:30938\\ncpd:C02954',\n", + " 'pubchem': 'pubchem:5872\\n',\n", + " 'image': 'images/C02954.gif'},\n", + " 'phenylacetic acid(aq)': {'chebi': 'chebi:30745\\ncpd:C07086',\n", + " 'pubchem': 'pubchem:9297\\n',\n", + " 'image': 'images/C07086.gif'},\n", + " 'penicillin G-(aq)': {'chebi': 'chebi:18208\\n',\n", + " 'pubchem': 'pubchem:7885\\n',\n", + " 'image': 'images/C05551.gif'},\n", + " '6-aminopenicillanic acid-(aq)': {'chebi': 'chebi:30938\\ncpd:C02954',\n", + " 'pubchem': 'pubchem:5872\\n',\n", + " 'image': 'images/C02954.gif'},\n", + " 'phenoxymethylpenicillin-(aq)': {'chebi': 'chebi:27446\\n',\n", + " 'pubchem': 'pubchem:10326\\n',\n", + " 'image': 'images/C08126.gif'},\n", + " '6-aminopenicillanate-(aq)': {'chebi': 'chebi:30938\\ncpd:C02954',\n", + " 'pubchem': 'pubchem:5872\\n',\n", + " 'image': 'images/C02954.gif'},\n", + " 'phenoxyacetate(aq)': {'chebi': 'chebi:8075\\n',\n", + " 'pubchem': 'pubchem:5253\\n',\n", + " 'image': 'images/C02181.gif'},\n", + " 'phenylacetylglycine(aq)': {'chebi': 'chebi:27480\\n',\n", + " 'pubchem': 'pubchem:7922\\n',\n", + " 'image': 'images/C05598.gif'},\n", + " 'N-acetyl-L-methionine(aq)': {'chebi': 'chebi:21557\\n',\n", + " 'pubchem': 'pubchem:5675\\n',\n", + " 'image': 'images/C02712.gif'},\n", + " 'pantothenate': {'chebi': 'chebi:7916\\ncpd:C00864',\n", + " 'pubchem': 'pubchem:4121\\n',\n", + " 'image': 'images/C00864.gif'},\n", + " 'H2O': {'chebi': 'chebi:15377\\ncpd:C00001',\n", + " 'pubchem': 'pubchem:3303\\n',\n", + " 'image': 'images/C00001.gif'},\n", + " 'pantoic acid': {'chebi': 'chebi:15980\\ncpd:C00522',\n", + " 'pubchem': 'pubchem:3805\\n',\n", + " 'image': 'images/C00522.gif'},\n", + " 'N-carbamoyl-L-aspartate(aq)': {'chebi': 'chebi:15859\\n',\n", + " 'pubchem': 'pubchem:3727\\n',\n", + " 'image': 'images/C00438.gif'},\n", + " 'L-5-carboxymethylhydantoin(aq)': {'chebi': 'chebi:16342\\n',\n", + " 'pubchem': 'pubchem:6473\\n',\n", + " 'image': 'images/C03703.gif'},\n", + " 'penicillinoic acid(aq)': {'pubchem': 'pubchem:8796\\n',\n", + " 'image': 'images/C06567.gif'},\n", + " 'allantoate(aq)': {'chebi': 'chebi:17536\\ncpd:C00499',\n", + " 'pubchem': 'pubchem:3782\\n',\n", + " 'image': 'images/C00499.gif'},\n", + " '(-)-ureidoglycolate(aq)': {'chebi': 'chebi:15412\\ncpd:C00603',\n", + " 'pubchem': 'pubchem:3878\\n',\n", + " 'image': 'images/C00603.gif'},\n", + " 'cytidine(aq)': {'chebi': 'chebi:17562\\n',\n", + " 'pubchem': 'pubchem:3758\\n',\n", + " 'image': 'images/C00475.gif'},\n", + " '10-formyltetrahydrofolate(aq)': {'chebi': 'chebi:15637\\n',\n", + " 'pubchem': 'pubchem:3533\\n',\n", + " 'image': 'images/C00234.gif'},\n", + " 'adenylyl sulfate(aq)': {'chebi': 'chebi:17709\\ncpd:C00224',\n", + " 'pubchem': 'pubchem:3524\\n',\n", + " 'image': 'images/C00224.gif'},\n", + " 'trimetaphosphate(aq)': {'chebi': 'chebi:16517\\n',\n", + " 'pubchem': 'pubchem:5482\\n',\n", + " 'image': 'images/C02466.gif'},\n", + " 'triphosphate(aq)': {'chebi': 'chebi:18036\\ncpd:C00536',\n", + " 'pubchem': 'pubchem:3818\\n',\n", + " 'image': 'images/C00536.gif'},\n", + " '-nicotinamide mononucleotide(aq)': {'chebi': 'chebi:16171\\n',\n", + " 'pubchem': 'pubchem:3741\\n',\n", + " 'image': 'images/C00455.gif'},\n", + " 'ATP-4-(aq)': {'chebi': 'chebi:15422\\ncpd:C00002',\n", + " 'pubchem': 'pubchem:3304\\n',\n", + " 'image': 'images/C00002.gif'},\n", + " 'ITP(aq)': {'chebi': 'chebi:16039\\ncpd:C00081',\n", + " 'pubchem': 'pubchem:3381\\n',\n", + " 'image': 'images/C00081.gif'},\n", + " 'IDP(aq)': {'chebi': 'chebi:17808\\ncpd:C00104',\n", + " 'pubchem': 'pubchem:3404\\n',\n", + " 'image': 'images/C00104.gif'},\n", + " 'diphosphate(aq)': {'chebi': 'chebi:18361\\ncpd:C00013',\n", + " 'pubchem': 'pubchem:3315\\n',\n", + " 'image': 'images/C00013.gif'},\n", + " 'phosphate(aq)': {'chebi': 'chebi:18367\\ncpd:C00009',\n", + " 'pubchem': 'pubchem:3311\\n',\n", + " 'image': 'images/C00009.gif'},\n", + " 'D-ribulose 1,5-biphosphate(aq)': {'chebi': 'chebi:16710\\n',\n", + " 'pubchem': 'pubchem:4409\\n',\n", + " 'image': 'images/C01182.gif'},\n", + " 'erythrulose 1-phosphate(aq)': {'chebi': 'chebi:14216\\ncpd:C03394',\n", + " 'pubchem': 'pubchem:6225\\n',\n", + " 'image': 'images/C03394.gif'},\n", + " 'glycerone phosphate(aq)': {'chebi': 'chebi:16108\\n',\n", + " 'pubchem': 'pubchem:3411\\n',\n", + " 'image': 'images/C00111.gif'},\n", + " '2-deoxy-D-ribose 5-phosphate(aq)': {'chebi': 'chebi:16132\\ncpd:C00673',\n", + " 'pubchem': 'pubchem:3942\\n',\n", + " 'image': 'images/C00673.gif'},\n", + " '6-phospho-2-dehydro-3-deoxy-D-gluconate(aq)': {'chebi': 'chebi:15925\\ncpd:C04442',\n", + " 'pubchem': 'pubchem:7071\\n',\n", + " 'image': 'images/C04442.gif'},\n", + " 'L-fuculose 1-phosphate(aq)': {'chebi': 'chebi:6220\\ncpd:C01099',\n", + " 'pubchem': 'pubchem:4333\\n',\n", + " 'image': 'images/C01099.gif'},\n", + " '(S)-lactaldehyde(aq)': {'chebi': 'chebi:18041\\ncpd:C00424',\n", + " 'pubchem': 'pubchem:3714\\n',\n", + " 'image': 'images/C00424.gif'},\n", + " '2-dehydro-3-deoxy-D-fuconate(aq)': {'chebi': 'chebi:18104\\ncpd:C06159',\n", + " 'pubchem': 'pubchem:8415\\n',\n", + " 'image': 'images/C06159.gif'},\n", + " '2-dehydro-3-deoxy-L-pentonate(aq)': {'chebi': 'chebi:17647\\ncpd:C00684',\n", + " 'pubchem': 'pubchem:3953\\n',\n", + " 'image': 'images/C00684.gif'},\n", + " 'L-rhamnulose 1-phosphate(aq)': {'chebi': 'chebi:17892\\n',\n", + " 'pubchem': 'pubchem:4362\\n',\n", + " 'image': 'images/C01131.gif'},\n", + " '2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq)': {'chebi': 'chebi:17860\\ncpd:C01286',\n", + " 'pubchem': 'pubchem:4505\\n',\n", + " 'image': 'images/C01286.gif'},\n", + " 'D-arabino-3-hexulose 6-phosphate(aq)': {'chebi': 'chebi:27973\\n',\n", + " 'pubchem': 'pubchem:8291\\n',\n", + " 'image': 'images/C06019.gif'},\n", + " 'N-acetylneuraminate(aq)': {'chebi': 'chebi:17012\\n',\n", + " 'pubchem': 'pubchem:3568\\n',\n", + " 'image': 'images/C00270.gif'},\n", + " 'N-acetyl-D-mannosamine(aq)': {'chebi': 'chebi:63153\\ncpd:C00645',\n", + " 'pubchem': 'pubchem:3918\\n',\n", + " 'image': 'images/C00645.gif'},\n", + " '4-hydroxy-2-oxoglutarate(aq)': {'chebi': 'chebi:17742\\ncpd:C01127',\n", + " 'pubchem': 'pubchem:4358\\n',\n", + " 'image': 'images/C01127.gif'},\n", + " '(S)-2-methylmalate(aq)': {'chebi': 'chebi:30936\\ncpd:C02614',\n", + " 'pubchem': 'pubchem:5599\\n',\n", + " 'image': 'images/C02614.gif'},\n", + " '(R,S)-malyl-CoA(aq)': {'chebi': 'chebi:15454\\n',\n", + " 'pubchem': 'pubchem:6997\\n',\n", + " 'image': 'images/C04348.gif'},\n", + " '2,3-dimethylmalate(aq)': {'chebi': 'chebi:15582\\ncpd:C03652',\n", + " 'pubchem': 'pubchem:6432\\n',\n", + " 'image': 'images/C03652.gif'},\n", + " 'propanoate(aq)': {'chebi': 'chebi:17272\\ncpd:C00163',\n", + " 'pubchem': 'pubchem:3463\\n',\n", + " 'image': 'images/C00163.gif'},\n", + " 'L-tryptophan(aq)': {'chebi': 'chebi:16828\\n',\n", + " 'pubchem': 'pubchem:3378\\n',\n", + " 'image': 'images/C00078.gif'},\n", + " 'indole(aq)': {'chebi': 'chebi:16881\\ncpd:C00463',\n", + " 'pubchem': 'pubchem:3747\\n',\n", + " 'image': 'images/C00463.gif'},\n", + " 'cis-aconitate(aq)': {'chebi': 'chebi:16383\\ncpd:C00417',\n", + " 'pubchem': 'pubchem:3707\\n',\n", + " 'image': 'images/C00417.gif'},\n", + " '3-dehydroquinate(aq)': {'chebi': 'chebi:32364\\ncpd:C00944',\n", + " 'pubchem': 'pubchem:4196\\n',\n", + " 'image': 'images/C00944.gif'},\n", + " '2-phospho-D-glycerate(aq)': {'chebi': 'chebi:17835\\ncpd:C00631',\n", + " 'pubchem': 'pubchem:3904\\n',\n", + " 'image': 'images/C00631.gif'},\n", + " '(3R)-3-hydroxybutanoyl-CoA(aq)': {'chebi': 'chebi:15452\\n',\n", + " 'pubchem': 'pubchem:6354\\n',\n", + " 'image': 'images/C03561.gif'},\n", + " 'cis-but-2-enoyl-CoA(aq)': {'chebi': 'chebi:36926\\ncpd:C00877',\n", + " 'pubchem': 'pubchem:4133\\n',\n", + " 'image': 'images/C00877.gif'},\n", + " '(3S)-3-hydroxybutanoyl-CoA(aq)': {'chebi': 'chebi:15453\\n',\n", + " 'pubchem': 'pubchem:4375\\n',\n", + " 'image': 'images/C01144.gif'},\n", + " 'trans-but-2-enoyl-CoA(aq)': {'chebi': 'chebi:36926\\ncpd:C00877',\n", + " 'pubchem': 'pubchem:4133\\n',\n", + " 'image': 'images/C00877.gif'},\n", + " '(3S)-3-hydroxyhexanoyl-CoA(aq)': {'chebi': 'chebi:28276\\n',\n", + " 'pubchem': 'pubchem:7655\\n',\n", + " 'image': 'images/C05268.gif'},\n", + " 'trans-hex-2-enoyl-CoA(aq)': {'chebi': 'chebi:28706\\n',\n", + " 'pubchem': 'pubchem:7658\\n',\n", + " 'image': 'images/C05271.gif'},\n", + " '1-(indol-3-yl)glycerol 3-phosphate(aq)': {'chebi': 'chebi:18299\\ncpd:C03506',\n", + " 'pubchem': 'pubchem:6317\\n',\n", + " 'image': 'images/C03506.gif'},\n", + " '(R)-malate(aq)': {'chebi': 'chebi:15588\\ncpd:C00497',\n", + " 'pubchem': 'pubchem:3780\\n',\n", + " 'image': 'images/C00497.gif'},\n", + " 'maleate(aq)': {'chebi': 'chebi:18300\\ncpd:C01384',\n", + " 'pubchem': 'pubchem:4579\\n',\n", + " 'image': 'images/C01384.gif'},\n", + " '2-methylfumarate(aq)': {'chebi': 'chebi:36986\\ncpd:C01732',\n", + " 'pubchem': 'pubchem:4868\\n',\n", + " 'image': 'images/C01732.gif'},\n", + " '(R)-2-methylmalate(aq)': {'chebi': 'chebi:30934\\ncpd:C02612',\n", + " 'pubchem': 'pubchem:5597\\n',\n", + " 'image': 'images/C02612.gif'},\n", + " '2-methylmaleate(aq)': {'chebi': 'chebi:30719\\ncpd:C02226',\n", + " 'pubchem': 'pubchem:5291\\n',\n", + " 'image': 'images/C02226.gif'},\n", + " '5-oxo-D-proline(aq)': {'chebi': 'chebi:16924\\n',\n", + " 'pubchem': 'pubchem:5301\\n',\n", + " 'image': 'images/C02237.gif'},\n", + " 'urocanate(aq)': {'chebi': 'chebi:27247\\ncpd:C00785',\n", + " 'pubchem': 'pubchem:4043\\n',\n", + " 'image': 'images/C00785.gif'},\n", + " '4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)': {'chebi': 'chebi:27384\\n',\n", + " 'pubchem': 'pubchem:6455\\n',\n", + " 'image': 'images/C03680.gif'},\n", + " 'cis-but-2-enoyl-[acyl-carrier protein](aq)': {'pubchem': 'pubchem:6911\\n',\n", + " 'image': 'images/C04246.gif'},\n", + " '(2R,3S)-2,3-dimethylmalate(aq)': {'chebi': 'chebi:15582\\ncpd:C03652',\n", + " 'pubchem': 'pubchem:6432\\n',\n", + " 'image': 'images/C03652.gif'},\n", + " 'dimethylmaleate(aq)': {'chebi': 'chebi:17081\\ncpd:C00922',\n", + " 'pubchem': 'pubchem:4176\\n',\n", + " 'image': 'images/C00922.gif'},\n", + " 'DL-3-hydroxybutanoyl-CoA(aq)': {'chebi': 'chebi:15453\\n',\n", + " 'pubchem': 'pubchem:4375\\n',\n", + " 'image': 'images/C01144.gif'},\n", + " 'L-threo-3-methylaspartate(aq)': {'chebi': 'chebi:47980\\n',\n", + " 'pubchem': 'pubchem:6402\\n',\n", + " 'image': 'images/C03618.gif'},\n", + " 'L-histidine(aq)': {'chebi': 'chebi:15971\\n',\n", + " 'pubchem': 'pubchem:3435\\n',\n", + " 'image': 'images/C00135.gif'},\n", + " 'L-phenylalanine(aq)': {'chebi': 'chebi:17295\\n',\n", + " 'pubchem': 'pubchem:3379\\n',\n", + " 'image': 'images/C00079.gif'},\n", + " 'trans-cinnamate(aq)': {'chebi': 'chebi:15669\\ncpd:C00423',\n", + " 'pubchem': 'pubchem:3713\\n',\n", + " 'image': 'images/C00423.gif'},\n", + " 'N-(L-argino)succinate(aq)': {'chebi': 'chebi:15682\\ncpd:C03406',\n", + " 'pubchem': 'pubchem:6235\\n',\n", + " 'image': 'images/C03406.gif'},\n", + " 'adenylosuccinate(aq)': {'chebi': 'chebi:15919\\ncpd:C03794',\n", + " 'pubchem': 'pubchem:6543\\n',\n", + " 'image': 'images/C03794.gif'},\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole\": {'chebi': 'chebi:18319\\n',\n", + " 'pubchem': 'pubchem:7384\\n',\n", + " 'image': 'images/C04823.gif'},\n", + " 'Fumarate': {'chebi': 'chebi:29806\\ncpd:C00122',\n", + " 'pubchem': 'pubchem:3422\\n',\n", + " 'image': 'images/C00122.gif'},\n", + " \"1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide\": {'chebi': 'chebi:18406\\ncpd:C04677',\n", + " 'pubchem': 'pubchem:7258\\n',\n", + " 'image': 'images/C04677.gif'},\n", + " '(R)-S-lactoylglutathione(aq)': {'chebi': 'chebi:15694\\ncpd:C03451',\n", + " 'pubchem': 'pubchem:6272\\n',\n", + " 'image': 'images/C03451.gif'},\n", + " 'glutathione (reduced)(aq)': {'chebi': 'chebi:16856\\n',\n", + " 'pubchem': 'pubchem:3353\\n',\n", + " 'image': 'images/C00051.gif'},\n", + " 'methylglyoxal(aq)': {'chebi': 'chebi:17158\\n',\n", + " 'pubchem': 'pubchem:3827\\n',\n", + " 'image': 'images/C00546.gif'},\n", + " 'L-lysine(aq)': {'chebi': 'chebi:18019\\n',\n", + " 'pubchem': 'pubchem:3349\\n',\n", + " 'image': 'images/C00047.gif'},\n", + " 'D-lysine(aq)': {'chebi': 'chebi:16855\\n',\n", + " 'pubchem': 'pubchem:4002\\n',\n", + " 'image': 'images/C00739.gif'},\n", + " 'L,L-2,6-diaminoheptanedioate(aq)': {'chebi': 'chebi:47031\\ncpd:C00666',\n", + " 'pubchem': 'pubchem:3935\\n',\n", + " 'image': 'images/C00666.gif'},\n", + " 'meso-diaminoheptanedioate(aq)': {'chebi': 'chebi:30308\\ncpd:C00680',\n", + " 'pubchem': 'pubchem:3949\\n',\n", + " 'image': 'images/C00680.gif'},\n", + " 'trans-4-hydroxy-L-proline(aq)': {'chebi': 'chebi:18095\\ncpd:C01157',\n", + " 'pubchem': 'pubchem:4385\\n',\n", + " 'image': 'images/C01157.gif'},\n", + " 'cis-4-hydroxy-D-proline(aq)': {'chebi': 'chebi:16231\\n',\n", + " 'pubchem': 'pubchem:6264\\n',\n", + " 'image': 'images/C03440.gif'},\n", + " 'D-leucine(aq)': {'chebi': 'chebi:28225\\ncpd:C01570',\n", + " 'pubchem': 'pubchem:4727\\n',\n", + " 'image': 'images/C01570.gif'},\n", + " 'L-ribulose 5-phosphate(aq)': {'chebi': 'chebi:17666\\n',\n", + " 'pubchem': 'pubchem:4335\\n',\n", + " 'image': 'images/C01101.gif'},\n", + " 'UDP-L-arabinose(aq)': {'chebi': 'chebi:17983\\n',\n", + " 'pubchem': 'pubchem:4187\\n',\n", + " 'image': 'images/C00935.gif'},\n", + " 'UDP-D-xylose(aq)': {'chebi': 'chebi:16082\\n',\n", + " 'pubchem': 'pubchem:3490\\n',\n", + " 'image': 'images/C00190.gif'},\n", + " 'UDP-D-galacturonate(aq)': {'chebi': 'chebi:16085\\n',\n", + " 'pubchem': 'pubchem:3891\\n',\n", + " 'image': 'images/C00617.gif'},\n", + " 'N-acetyl-D-glucosamine(aq)': {'chebi': 'chebi:506227\\n',\n", + " 'pubchem': 'pubchem:3440\\n',\n", + " 'image': 'images/C00140.gif'},\n", + " 'N-acetyl-D-glucosamine 6-phosphate(aq)': {'chebi': 'chebi:15784\\ncpd:C00357',\n", + " 'pubchem': 'pubchem:3650\\n',\n", + " 'image': 'images/C00357.gif'},\n", + " 'N-acetyl-D-mannosamine 6-phosphate(aq)': {'chebi': 'chebi:62168\\ncpd:C04257',\n", + " 'pubchem': 'pubchem:6922\\n',\n", + " 'image': 'images/C04257.gif'},\n", + " 'CDP-3,6-dideoxy-D-glucose(aq)': {'chebi': 'chebi:70802\\n',\n", + " 'pubchem': 'pubchem:6389\\n',\n", + " 'image': 'images/C03598.gif'},\n", + " 'CDP-3,6-dideoxy-D-mannose(aq)': {'chebi': 'chebi:88237\\n',\n", + " 'pubchem': 'pubchem:6390\\n',\n", + " 'image': 'images/C03599.gif'},\n", + " 'alpha-D-Glucose 6-phosphate(aq)': {'chebi': 'chebi:17665\\n',\n", + " 'pubchem': 'pubchem:3937\\n',\n", + " 'image': 'images/C00668.gif'},\n", + " 'beta-D-Glucose 6-phosphate(aq)': {'chebi': 'chebi:17719\\n',\n", + " 'pubchem': 'pubchem:4399\\n',\n", + " 'image': 'images/C01172.gif'},\n", + " 'GDP-L-galactose(aq)': {'chebi': 'chebi:18038\\ncpd:C02280',\n", + " 'pubchem': 'pubchem:5337\\n',\n", + " 'image': 'images/C02280.gif'},\n", + " '(R)-methylmalonyl-CoA(aq)': {'chebi': 'chebi:15465\\n',\n", + " 'pubchem': 'pubchem:4435\\n',\n", + " 'image': 'images/C01213.gif'},\n", + " '(S)-methylmalonyl-CoA(aq)': {'chebi': 'chebi:15466\\n',\n", + " 'pubchem': 'pubchem:3952\\n',\n", + " 'image': 'images/C00683.gif'},\n", + " 'all-trans-retinal(aq)': {'chebi': 'chebi:17898\\n',\n", + " 'pubchem': 'pubchem:3666\\n',\n", + " 'image': 'images/C00376.gif'},\n", + " '11-cis-retinal(aq)': {'chebi': 'chebi:16066\\n',\n", + " 'pubchem': 'pubchem:5192\\n',\n", + " 'image': 'images/C02110.gif'},\n", + " '9-cis,12-cis-octadecadienoate(aq)': {'chebi': 'chebi:30245\\ncpd:C01595',\n", + " 'pubchem': 'pubchem:4750\\n',\n", + " 'image': 'images/C01595.gif'},\n", + " '9-cis,11-trans-octadecadienoate(aq)': {'chebi': 'chebi:32798\\n',\n", + " 'pubchem': 'pubchem:6756\\n',\n", + " 'image': 'images/C04056.gif'},\n", + " 'D-erythrose(aq)': {'chebi': 'chebi:27904\\ncpd:C01796',\n", + " 'pubchem': 'pubchem:4923\\n',\n", + " 'image': 'images/C01796.gif'},\n", + " 'D-erythrulose(aq)': {'chebi': 'chebi:23958\\ncpd:C02022',\n", + " 'pubchem': 'pubchem:5117\\n',\n", + " 'image': 'images/C02022.gif'},\n", + " 'D-arabinose(aq)': {'chebi': 'chebi:17108\\ncpd:C00216',\n", + " 'pubchem': 'pubchem:3516\\n',\n", + " 'image': 'images/C00216.gif'},\n", + " 'L-fucose(aq)': {'chebi': 'chebi:2181\\n',\n", + " 'pubchem': 'pubchem:4264\\n',\n", + " 'image': 'images/C01019.gif'},\n", + " 'L-fuculose(aq)': {'chebi': 'chebi:17617\\n',\n", + " 'pubchem': 'pubchem:4858\\n',\n", + " 'image': 'images/C01721.gif'},\n", + " 'L-arabinose(aq)': {'chebi': 'chebi:17535\\n',\n", + " 'pubchem': 'pubchem:3558\\n',\n", + " 'image': 'images/C00259.gif'},\n", + " 'L-ribulose(aq)': {'chebi': 'chebi:16880\\ncpd:C00508',\n", + " 'pubchem': 'pubchem:3791\\n',\n", + " 'image': 'images/C00508.gif'},\n", + " '-D-allose(aq)': {'chebi': 'chebi:4093\\n',\n", + " 'pubchem': 'pubchem:4657\\n',\n", + " 'image': 'images/C01487.gif'},\n", + " 'D-altrose(aq)': {'chebi': 'chebi:28385\\n',\n", + " 'pubchem': 'pubchem:8696\\n',\n", + " 'image': 'images/C06464.gif'},\n", + " 'D-lyxose(aq)': {'chebi': 'chebi:16789\\ncpd:C00476',\n", + " 'pubchem': 'pubchem:3759\\n',\n", + " 'image': 'images/C00476.gif'},\n", + " 'D-glucosamine 6-phosphate(aq)': {'chebi': 'chebi:47987\\ncpd:C00352',\n", + " 'pubchem': 'pubchem:3645\\n',\n", + " 'image': 'images/C00352.gif'},\n", + " 'D-galacturonate(aq)': {'chebi': 'chebi:12952\\ncpd:C00333',\n", + " 'pubchem': 'pubchem:3627\\n',\n", + " 'image': 'images/C00333.gif'},\n", + " 'D-tagaturonate(aq)': {'chebi': 'chebi:17886\\n',\n", + " 'pubchem': 'pubchem:3838\\n',\n", + " 'image': 'images/C00558.gif'},\n", + " 'D-glucuronate(aq)': {'chebi': 'chebi:15748\\ncpd:C00191',\n", + " 'pubchem': 'pubchem:3491\\n',\n", + " 'image': 'images/C00191.gif'},\n", + " 'D-fructuronate(aq)': {'chebi': 'chebi:4126\\n',\n", + " 'pubchem': 'pubchem:4160\\n',\n", + " 'image': 'images/C00905.gif'},\n", + " 'D-arabinose 5-phosphate(aq)': {'chebi': 'chebi:16241\\n',\n", + " 'pubchem': 'pubchem:4344\\n',\n", + " 'image': 'images/C01112.gif'},\n", + " 'L-rhamnose(aq)': {'chebi': 'chebi:62345\\ncpd:C00507',\n", + " 'pubchem': 'pubchem:3790\\n',\n", + " 'image': 'images/C00507.gif'},\n", + " 'L-rhamnulose(aq)': {'chebi': 'chebi:17897\\n',\n", + " 'pubchem': 'pubchem:4118\\n',\n", + " 'image': 'images/C00861.gif'},\n", + " 'keto-phenylpyruvate(aq)': {'chebi': 'chebi:18005\\ncpd:C00166',\n", + " 'pubchem': 'pubchem:3466\\n',\n", + " 'image': 'images/C00166.gif'},\n", + " 'enol-phenylpyruvate(aq)': {'chebi': 'chebi:16815\\ncpd:C02763',\n", + " 'pubchem': 'pubchem:5719\\n',\n", + " 'image': 'images/C02763.gif'},\n", + " 'keto-oxaloacetate(aq)': {'chebi': 'chebi:16452\\ncpd:C00036',\n", + " 'pubchem': 'pubchem:3338\\n',\n", + " 'image': 'images/C00036.gif'},\n", + " 'enol-oxaloacetate(aq)': {'chebi': 'chebi:28394\\n',\n", + " 'pubchem': 'pubchem:6698\\n',\n", + " 'image': 'images/C03981.gif'},\n", + " 'isopentenyl diphosphate(aq)': {'chebi': 'chebi:16584\\ncpd:C00129',\n", + " 'pubchem': 'pubchem:3429\\n',\n", + " 'image': 'images/C00129.gif'},\n", + " 'dimethylallyl diphosphate(aq)': {'chebi': 'chebi:16057\\n',\n", + " 'pubchem': 'pubchem:3534\\n',\n", + " 'image': 'images/C00235.gif'},\n", + " 'methylitaconate(aq)': {'chebi': 'chebi:16093\\ncpd:C02295',\n", + " 'pubchem': 'pubchem:5351\\n',\n", + " 'image': 'images/C02295.gif'},\n", + " 'D-glucosamine 1-phosphate(aq)': {'chebi': 'chebi:27625\\n',\n", + " 'pubchem': 'pubchem:8412\\n',\n", + " 'image': 'images/C06156.gif'},\n", + " 'D-glucose 1,6-diphosphate(aq)': {'chebi': 'chebi:18148\\n',\n", + " 'pubchem': 'pubchem:4453\\n',\n", + " 'image': 'images/C01231.gif'},\n", + " '-D-glucose 6-phosphate(aq)': {'chebi': 'chebi:4170\\n',\n", + " 'pubchem': 'pubchem:3392\\n',\n", + " 'image': 'images/C00092.gif'},\n", + " 'N-acetyl-D-glucosamine 1-phosphate(aq)': {'chebi': 'chebi:7125\\n',\n", + " 'pubchem': 'pubchem:6921\\n',\n", + " 'image': 'images/C04256.gif'},\n", + " '(3S)-3,6-diaminohexanoate(aq)': {'chebi': 'chebi:15613\\ncpd:C01142',\n", + " 'pubchem': 'pubchem:4373\\n',\n", + " 'image': 'images/C01142.gif'},\n", + " 'D-ornithine(aq)': {'chebi': 'chebi:16176\\ncpd:C00515',\n", + " 'pubchem': 'pubchem:3798\\n',\n", + " 'image': 'images/C00515.gif'},\n", + " 'D-threo-2,4-diaminopentanoate(aq)': {'chebi': 'chebi:4280\\n',\n", + " 'pubchem': 'pubchem:6667\\n',\n", + " 'image': 'images/C03943.gif'},\n", + " '2-methyleneglutarate(aq)': {'chebi': 'chebi:17207\\ncpd:C02930',\n", + " 'pubchem': 'pubchem:5852\\n',\n", + " 'image': 'images/C02930.gif'},\n", + " '2,5-dihydro-5-oxofuran-2-acetate(aq)': {'chebi': 'chebi:18080\\n',\n", + " 'pubchem': 'pubchem:6796\\n',\n", + " 'image': 'images/C04105.gif'},\n", + " 'cis-cis-hexadienedioate(aq)': {'chebi': 'chebi:16508\\n',\n", + " 'pubchem': 'pubchem:5495\\n',\n", + " 'image': 'images/C02480.gif'},\n", + " 'tetrahydroxypteridine(aq)': {'chebi': 'chebi:17410\\n',\n", + " 'pubchem': 'pubchem:6060\\n',\n", + " 'image': 'images/C03178.gif'},\n", + " 'xanthine-8-carboxylate(aq)': {'chebi': 'chebi:16806\\ncpd:C03314',\n", + " 'pubchem': 'pubchem:6167\\n',\n", + " 'image': 'images/C03314.gif'},\n", + " 'L-valine': {'chebi': 'chebi:16414\\n',\n", + " 'pubchem': 'pubchem:3483\\n',\n", + " 'image': 'images/C00183.gif'},\n", + " 'tRNA(Val)': {'chebi': 'chebi:29183\\n', 'pubchem': 'pubchem:4802\\n'},\n", + " 'AMP': {'chebi': 'chebi:16027\\n',\n", + " 'pubchem': 'pubchem:3322\\n',\n", + " 'image': 'images/C00020.gif'},\n", + " 'diphosphate': {'chebi': 'chebi:18361\\ncpd:C00013',\n", + " 'pubchem': 'pubchem:3315\\n',\n", + " 'image': 'images/C00013.gif'},\n", + " 'L-Valyl-tRNA(Val)': {'chebi': 'chebi:29164\\n',\n", + " 'pubchem': 'pubchem:5555\\n',\n", + " 'image': 'images/C02554.gif'},\n", + " 'propanonyl-CoA(aq)': {'chebi': 'chebi:15539\\n',\n", + " 'pubchem': 'pubchem:3400\\n',\n", + " 'image': 'images/C00100.gif'},\n", + " 'L-arginosuccinate(aq)': {'chebi': 'chebi:15682\\ncpd:C03406',\n", + " 'pubchem': 'pubchem:6235\\n',\n", + " 'image': 'images/C03406.gif'},\n", + " 'D-arabitol(aq)': {'chebi': 'chebi:18333\\n',\n", + " 'pubchem': 'pubchem:5013\\n',\n", + " 'image': 'images/C01904.gif'},\n", + " 'D-carnitine(aq)': {'chebi': 'chebi:11060\\n',\n", + " 'pubchem': 'pubchem:17396022\\n',\n", + " 'image': 'images/C15025.gif'},\n", + " 'prostaglandin E2(aq)': {'chebi': 'chebi:15551\\ncpd:C00584',\n", + " 'pubchem': 'pubchem:3863\\n',\n", + " 'image': 'images/C00584.gif'},\n", + " '15-oxo-prostaglandin E2(aq)': {'chebi': 'chebi:15547\\n',\n", + " 'pubchem': 'pubchem:7280\\n',\n", + " 'image': 'images/C04707.gif'},\n", + " 'H2O2(aq)': {'chebi': 'chebi:16240\\n',\n", + " 'pubchem': 'pubchem:3329\\n',\n", + " 'image': 'images/C00027.gif'},\n", + " '1/2 O2(aq)': {'chebi': 'chebi:15379\\ncpd:C00007',\n", + " 'pubchem': 'pubchem:3309\\n',\n", + " 'image': 'images/0.5 C00007.gif'},\n", + " 'cholesterol(aq)': {'chebi': 'chebi:16113\\n',\n", + " 'pubchem': 'pubchem:3487\\n',\n", + " 'image': 'images/C00187.gif'},\n", + " 'cholest-4-en-3-one(aq)': {'chebi': 'chebi:16175\\ncpd:C00599',\n", + " 'pubchem': 'pubchem:3875\\n',\n", + " 'image': 'images/C00599.gif'},\n", + " 'prephenate(aq)': {'chebi': 'chebi:29934\\ncpd:C00254',\n", + " 'pubchem': 'pubchem:3553\\n',\n", + " 'image': 'images/C00254.gif'},\n", + " '4-hydroxyphenylpyruvate(aq)': {'chebi': 'chebi:36242\\ncpd:C01179',\n", + " 'pubchem': 'pubchem:4406\\n',\n", + " 'image': 'images/C01179.gif'},\n", + " 'lipoate(aq)': {'chebi': 'chebi:16494\\ncpd:C00725',\n", + " 'pubchem': 'pubchem:3990\\n',\n", + " 'image': 'images/C00725.gif'},\n", + " 'urate(aq)': {'chebi': 'chebi:17775\\n',\n", + " 'pubchem': 'pubchem:3657\\n',\n", + " 'image': 'images/C00366.gif'},\n", + " 'allantoin(aq)': {'chebi': 'chebi:15676\\n',\n", + " 'pubchem': 'pubchem:4709\\n',\n", + " 'image': 'images/C01551.gif'},\n", + " 'H2O2': {'chebi': 'chebi:16240\\n',\n", + " 'pubchem': 'pubchem:3329\\n',\n", + " 'image': 'images/C00027.gif'},\n", + " 'dodecanal(aq)': {'chebi': 'chebi:27836\\n',\n", + " 'pubchem': 'pubchem:5336\\n',\n", + " 'image': 'images/C02278.gif'},\n", + " 'FMN(reduced)': {'chebi': 'chebi:16048\\ncpd:C01847',\n", + " 'pubchem': 'pubchem:4964\\n',\n", + " 'image': 'images/C01847.gif'},\n", + " 'dodecanoic acid(aq)': {'chebi': 'chebi:18262\\ncpd:C02679',\n", + " 'pubchem': 'pubchem:5649\\n',\n", + " 'image': 'images/C02679.gif'},\n", + " 'FMN(oxidized)': {'chebi': 'chebi:17621\\ncpd:C00061',\n", + " 'pubchem': 'pubchem:3361\\n',\n", + " 'image': 'images/C00061.gif'},\n", + " '(+)-camphor(aq)': {'chebi': 'chebi:15396\\ncpd:C00808',\n", + " 'pubchem': 'pubchem:4066\\n',\n", + " 'image': 'images/C00808.gif'},\n", + " '(+)-5-exo-hydroxycamphor(aq)': {'chebi': 'chebi:20570\\ncpd:C03448',\n", + " 'pubchem': 'pubchem:6270\\n',\n", + " 'image': 'images/C03448.gif'},\n", + " 'CH2-H4PteGlu4(aq)': {'chebi': 'chebi:16568\\n',\n", + " 'pubchem': 'pubchem:7018\\n',\n", + " 'image': 'images/C04377.gif'},\n", + " 'H4PteGlu4(aq)': {'chebi': 'chebi:17321\\n',\n", + " 'pubchem': 'pubchem:4439\\n',\n", + " 'image': 'images/C01217.gif'},\n", + " 'O-acetyl-L-serine(aq)': {'chebi': 'chebi:17981\\ncpd:C00979',\n", + " 'pubchem': 'pubchem:4228\\n',\n", + " 'image': 'images/C00979.gif'},\n", + " 'phenylpyruvate(aq)': {'chebi': 'chebi:18005\\ncpd:C00166',\n", + " 'pubchem': 'pubchem:3466\\n',\n", + " 'image': 'images/C00166.gif'},\n", + " 'L-tyrosine(aq)': {'chebi': 'chebi:17895\\n',\n", + " 'pubchem': 'pubchem:3382\\n',\n", + " 'image': 'images/C00082.gif'},\n", + " '4-methyl-2-oxopentanooate(aq)': {'chebi': 'chebi:17865\\ncpd:C00233',\n", + " 'pubchem': 'pubchem:3532\\n',\n", + " 'image': 'images/C00233.gif'},\n", + " '3-aminopropionaldehyde(aq)': {'chebi': 'chebi:18090\\n',\n", + " 'pubchem': 'pubchem:7975\\n',\n", + " 'image': 'images/C05665.gif'},\n", + " '1,3-diaminopropane(aq)': {'chebi': 'chebi:15725\\ncpd:C00986',\n", + " 'pubchem': 'pubchem:4233\\n',\n", + " 'image': 'images/C00986.gif'},\n", + " '-isomaltose(aq)': {'chebi': 'chebi:28189\\n',\n", + " 'pubchem': 'pubchem:3551\\n',\n", + " 'image': 'images/C00252.gif'},\n", + " 'amoxicillin(aq)': {'chebi': 'chebi:2676\\n',\n", + " 'pubchem': 'pubchem:9045\\n',\n", + " 'image': 'images/C06827.gif'},\n", + " 'D-4-hydroxyphenylglycine(aq)': {'chebi': 'chebi:15695\\n',\n", + " 'pubchem': 'pubchem:6305\\n',\n", + " 'image': 'images/C03493.gif'},\n", + " 'N-glycolylneuraminate(aq)': {'chebi': 'chebi:29025\\ncpd:C03410',\n", + " 'pubchem': 'pubchem:6239\\n',\n", + " 'image': 'images/C03410.gif'},\n", + " 'N-glycolyl-D-mannosamine(aq)': {'chebi': 'chebi:28255\\n',\n", + " 'pubchem': 'pubchem:6329\\n',\n", + " 'image': 'images/C03521.gif'},\n", + " 'chorismate(aq)': {'chebi': 'chebi:17333\\n',\n", + " 'pubchem': 'pubchem:3550\\n',\n", + " 'image': 'images/C00251.gif'},\n", + " '4-hydroxybenzoate(aq)': {'chebi': 'chebi:17879\\ncpd:C00156',\n", + " 'pubchem': 'pubchem:3456\\n',\n", + " 'image': 'images/C00156.gif'},\n", + " 'cyclohexa-1,5-diene-1-carboxyl-CoA(aq)': {'chebi': 'chebi:15520\\n',\n", + " 'pubchem': 'pubchem:8558\\n',\n", + " 'image': 'images/C06322.gif'},\n", + " '6-hydroxycyclohex-1-ene-carboxyl-CoA(aq)': {'chebi': 'chebi:15505\\n',\n", + " 'pubchem': 'pubchem:8970\\n',\n", + " 'image': 'images/C06749.gif'},\n", + " 'H2o(l)': {'chebi': 'chebi:15377\\ncpd:C00001',\n", + " 'pubchem': 'pubchem:3303\\n',\n", + " 'image': 'images/C00001.gif'},\n", + " '4-amino-4-deoxychorismate(aq)': {'chebi': 'chebi:35181\\ncpd:C11355',\n", + " 'pubchem': 'pubchem:13530\\n',\n", + " 'image': 'images/C11355.gif'},\n", + " 'isochorismate(aq)': {'chebi': 'chebi:29780\\ncpd:C00885',\n", + " 'pubchem': 'pubchem:4141\\n',\n", + " 'image': 'images/C00885.gif'},\n", + " '2-amino-2-deoxyisochorismate(aq)': {'chebi': 'chebi:49197\\n',\n", + " 'pubchem': 'pubchem:96024274\\n',\n", + " 'image': 'images/C18054.gif'},\n", + " 'NADP(ox)(aq)': {'chebi': 'chebi:18009\\n',\n", + " 'pubchem': 'pubchem:3308\\n',\n", + " 'image': 'images/C00006.gif'},\n", + " 'NADP(red)(aq)': {'chebi': 'chebi:16474\\n',\n", + " 'pubchem': 'pubchem:3307\\n',\n", + " 'image': 'images/C00005.gif'},\n", + " 'D-mannitol-1-phosphate(aq)': {'chebi': 'chebi:16298\\n',\n", + " 'pubchem': 'pubchem:3917\\n',\n", + " 'image': 'images/C00644.gif'},\n", + " 'NAD(ox)(aq)': {'chebi': 'chebi:15846\\n',\n", + " 'pubchem': 'pubchem:3305\\n',\n", + " 'image': 'images/C00003.gif'},\n", + " 'NAD(red)(aq)': {'chebi': 'chebi:16908\\n',\n", + " 'pubchem': 'pubchem:3306\\n',\n", + " 'image': 'images/C00004.gif'},\n", + " 'D-2-hydroxy-n-butanoate(aq)': {'chebi': 'chebi:1148\\ncpd:C05984',\n", + " 'pubchem': 'pubchem:8262\\n',\n", + " 'image': 'images/C05984.gif'},\n", + " 'pyridoxine(aq)': {'chebi': 'chebi:16709\\n',\n", + " 'pubchem': 'pubchem:3608\\n',\n", + " 'image': 'images/C00314.gif'},\n", + " '(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)': {'chebi': 'chebi:30904\\ncpd:C05662',\n", + " 'pubchem': 'pubchem:7972\\n',\n", + " 'image': 'images/C05662.gif'},\n", + " 'NAD(ox)': {'chebi': 'chebi:15846\\n',\n", + " 'pubchem': 'pubchem:3305\\n',\n", + " 'image': 'images/C00003.gif'},\n", + " 'NAD(red)': {'chebi': 'chebi:16908\\n',\n", + " 'pubchem': 'pubchem:3306\\n',\n", + " 'image': 'images/C00004.gif'},\n", + " '(R)-pantoate(aq)': {'chebi': 'chebi:15980\\ncpd:C00522',\n", + " 'pubchem': 'pubchem:3805\\n',\n", + " 'image': 'images/C00522.gif'},\n", + " 'NADP(ox)': {'chebi': 'chebi:18009\\n',\n", + " 'pubchem': 'pubchem:3308\\n',\n", + " 'image': 'images/C00006.gif'},\n", + " '2-dehydropantoate(aq)': {'chebi': 'chebi:11561\\ncpd:C00966',\n", + " 'pubchem': 'pubchem:4217\\n',\n", + " 'image': 'images/C00966.gif'},\n", + " '2-keto-L-gulonate(aq)': {'chebi': 'chebi:36602\\n',\n", + " 'pubchem': 'pubchem:47204999\\n',\n", + " 'image': 'images/C15673.gif'},\n", + " '2,5-diketo-D-gluconate(aq)': {'chebi': 'chebi:18281\\n',\n", + " 'pubchem': 'pubchem:5731\\n',\n", + " 'image': 'images/C02780.gif'},\n", + " 'N6-(L-1,3-dicarboxypropyl)-L-lysine': {'chebi': 'chebi:16927\\n',\n", + " 'pubchem': 'pubchem:3737\\n',\n", + " 'image': 'images/C00449.gif'},\n", + " 'glutathoine(red)(aq)': {'chebi': 'chebi:16856\\n',\n", + " 'pubchem': 'pubchem:3353\\n',\n", + " 'image': 'images/2 C00051.gif'},\n", + " 'glutathoine(ox)(aq)': {'chebi': 'chebi:17858\\ncpd:C00127',\n", + " 'pubchem': 'pubchem:3427\\n',\n", + " 'image': 'images/C00127.gif'},\n", + " 'O2-': {'chebi': 'chebi:18421\\ncpd:C00704',\n", + " 'pubchem': 'pubchem:3971\\n',\n", + " 'image': 'images/2 C00704.gif'},\n", + " 'O2': {'chebi': 'chebi:15379\\ncpd:C00007',\n", + " 'pubchem': 'pubchem:3309\\n',\n", + " 'image': 'images/C00007.gif'},\n", + " '(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq)': {'pubchem': 'pubchem:7269\\n',\n", + " 'image': 'images/C04688.gif'},\n", + " 'acyl-carrier-protein(aq)': {'chebi': 'chebi:16139\\n',\n", + " 'pubchem': 'pubchem:6463\\n'},\n", + " 'UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq)': {'chebi': 'chebi:61537\\n',\n", + " 'pubchem': 'pubchem:7309\\n',\n", + " 'image': 'images/C04738.gif'},\n", + " 'corrinoid protein(aq)': {'chebi': 'chebi:33913\\ncpd:C06021',\n", + " 'pubchem': 'pubchem:8293\\n',\n", + " 'image': 'images/C06021.gif'},\n", + " 'carbon monoxide(aq)': {'chebi': 'chebi:17245\\ncpd:C00237',\n", + " 'pubchem': 'pubchem:3536\\n',\n", + " 'image': 'images/C00237.gif'},\n", + " 'methylcorrinoid protein(aq)': {'pubchem': 'pubchem:8292\\n',\n", + " 'image': 'images/C06020.gif'},\n", + " \"'-deoxyinosine(aq)\": {'chebi': 'chebi:28997\\n',\n", + " 'pubchem': 'pubchem:7859\\n',\n", + " 'image': 'images/C05512.gif'},\n", + " \"orotidine 5 '-phosphate(aq)\": {'chebi': 'chebi:15842\\ncpd:C01103',\n", + " 'pubchem': 'pubchem:4337\\n',\n", + " 'image': 'images/C01103.gif'},\n", + " 'Nicotinate D-ribonucleotide(aq)': {'chebi': 'chebi:15763\\ncpd:C01185',\n", + " 'pubchem': 'pubchem:4411\\n',\n", + " 'image': 'images/C01185.gif'},\n", + " 'nicotinic acid(aq)': {'chebi': 'chebi:32544\\ncpd:C00253',\n", + " 'pubchem': 'pubchem:3552\\n',\n", + " 'image': 'images/C00253.gif'},\n", + " '5-Phospho-alpha-D-ribose 1-diphosphate(aq)': {'chebi': 'chebi:17111\\n',\n", + " 'pubchem': 'pubchem:3419\\n',\n", + " 'image': 'images/C00119.gif'},\n", + " \"'-methylthioadenosine(aq)\": {'chebi': 'chebi:17509\\ncpd:C00170',\n", + " 'pubchem': 'pubchem:3470\\n',\n", + " 'image': 'images/C00170.gif'},\n", + " '5-methylthio-D-ribose 1-phosphate(aq)': {'chebi': 'chebi:27859\\ncpd:C04188',\n", + " 'pubchem': 'pubchem:6864\\n',\n", + " 'image': 'images/C04188.gif'},\n", + " '(2-aminoethyl)phosphonate(aq)': {'chebi': 'chebi:15573\\n',\n", + " 'pubchem': 'pubchem:6353\\n',\n", + " 'image': 'images/C03557.gif'},\n", + " '2-phosphonoacetaldehyde(aq)': {'chebi': 'chebi:18124\\n',\n", + " 'pubchem': 'pubchem:6050\\n',\n", + " 'image': 'images/C03167.gif'},\n", + " '2-oxoisocaproate(aq)': {'chebi': 'chebi:17865\\ncpd:C00233',\n", + " 'pubchem': 'pubchem:3532\\n',\n", + " 'image': 'images/C00233.gif'},\n", + " 'L-valine(aq)': {'chebi': 'chebi:16414\\n',\n", + " 'pubchem': 'pubchem:3483\\n',\n", + " 'image': 'images/C00183.gif'},\n", + " '2-oxovalerate(aq)': {'chebi': 'chebi:33033\\n',\n", + " 'pubchem': 'pubchem:8494\\n',\n", + " 'image': 'images/C06255.gif'},\n", + " 'myosin light chain(aq)': {'pubchem': 'pubchem:4249\\n',\n", + " 'image': 'images/C01003.gif'},\n", + " 'myosin light chain phosphate(aq)': {'pubchem': 'pubchem:6609\\n',\n", + " 'image': 'images/C03875.gif'},\n", + " 'Nomega-phospho-L-arginine(aq)': {'chebi': 'chebi:18412\\n',\n", + " 'pubchem': 'pubchem:8229\\n',\n", + " 'image': 'images/C05945.gif'},\n", + " 'adenylylsulfate(aq)': {'chebi': 'chebi:17709\\ncpd:C00224',\n", + " 'pubchem': 'pubchem:3524\\n',\n", + " 'image': 'images/C00224.gif'},\n", + " \"guanosine 3 ',5 '-cyclic phosphate(aq)\": {'chebi': 'chebi:16356\\n',\n", + " 'pubchem': 'pubchem:4194\\n',\n", + " 'image': 'images/C00942.gif'},\n", + " \"guanosine 5 '-phosphate(aq)\": {'chebi': 'chebi:17345\\n',\n", + " 'pubchem': 'pubchem:3444\\n',\n", + " 'image': 'images/C00144.gif'},\n", + " 'D-(4-hydroxyphenyl)glycine(aq)': {'chebi': 'chebi:15695\\n',\n", + " 'pubchem': 'pubchem:6305\\n',\n", + " 'image': 'images/C03493.gif'},\n", + " 'N-acetyl-L-phenylalanine(aq)': {'chebi': 'chebi:16259\\n',\n", + " 'pubchem': 'pubchem:6328\\n',\n", + " 'image': 'images/C03519.gif'},\n", + " 'anandamide(aq)': {'chebi': 'chebi:2700\\n',\n", + " 'pubchem': 'pubchem:13860\\n',\n", + " 'image': 'images/C11695.gif'},\n", + " 'ethanolamine(aq)': {'chebi': 'chebi:16000\\n',\n", + " 'pubchem': 'pubchem:3489\\n',\n", + " 'image': 'images/C00189.gif'},\n", + " 'arachidonic acid(aq)': {'chebi': 'chebi:15843\\n',\n", + " 'pubchem': 'pubchem:3519\\n',\n", + " 'image': 'images/C00219.gif'},\n", + " 'palmitoylethanolamide(aq)': {'chebi': 'chebi:71464\\n',\n", + " 'pubchem': 'pubchem:49661772\\n',\n", + " 'image': 'images/C16512.gif'},\n", + " 'palmitic acid(aq)': {'chebi': 'chebi:15756\\n',\n", + " 'pubchem': 'pubchem:3548\\n',\n", + " 'image': 'images/C00249.gif'},\n", + " '5,6-dihydrouracil(aq)': {'chebi': 'chebi:15901\\n',\n", + " 'pubchem': 'pubchem:3718\\n',\n", + " 'image': 'images/C00429.gif'},\n", + " '3-ureidopropanoic acid(aq)': {'chebi': 'chebi:18261\\n',\n", + " 'pubchem': 'pubchem:5621\\n',\n", + " 'image': 'images/C02642.gif'},\n", + " '((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)': {'pubchem': 'pubchem:8210\\n',\n", + " 'image': 'images/C05922.gif'},\n", + " 'benzonitrile(aq)': {'chebi': 'chebi:27991\\ncpd:C09814',\n", + " 'pubchem': 'pubchem:12002\\n',\n", + " 'image': 'images/C09814.gif'},\n", + " 'H2O(aq)': {'chebi': 'chebi:15377\\ncpd:C00001',\n", + " 'pubchem': 'pubchem:3303\\n',\n", + " 'image': 'images/2 C00001.gif'},\n", + " 'benzoic acid(aq)': {'chebi': 'chebi:16150\\ncpd:C00180',\n", + " 'pubchem': 'pubchem:3480\\n',\n", + " 'image': 'images/C00180.gif'},\n", + " 'benzyl cyanide(aq)': {'chebi': 'chebi:25979\\n',\n", + " 'pubchem': 'pubchem:47205384\\n',\n", + " 'image': 'images/C16074.gif'},\n", + " '3-indoleacetonitrile(aq)': {'chebi': 'chebi:17566\\n',\n", + " 'pubchem': 'pubchem:5857\\n',\n", + " 'image': 'images/C02938.gif'},\n", + " 'indole-3-acetic acid(aq)': {'chebi': 'chebi:16411\\ncpd:C00954',\n", + " 'pubchem': 'pubchem:4205\\n',\n", + " 'image': 'images/C00954.gif'},\n", + " 'D-ribulose 1,5-bisphosphate(aq)': {'chebi': 'chebi:16710\\n',\n", + " 'pubchem': 'pubchem:4409\\n',\n", + " 'image': 'images/C01182.gif'},\n", + " '2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq)': {'chebi': 'chebi:18150\\n',\n", + " 'pubchem': 'pubchem:7271\\n',\n", + " 'image': 'images/C04691.gif'},\n", + " '2-oxo-3-deoxy-D-gluconate(aq)': {'chebi': 'chebi:17032\\n',\n", + " 'pubchem': 'pubchem:3504\\n',\n", + " 'image': 'images/C00204.gif'},\n", + " 'anthranilate(aq)': {'chebi': 'chebi:16567\\ncpd:C00108',\n", + " 'pubchem': 'pubchem:3408\\n',\n", + " 'image': 'images/C00108.gif'},\n", + " '(3S)-hydroxybutanoyl-coenzyme A(aq)': {'chebi': 'chebi:15453\\n',\n", + " 'pubchem': 'pubchem:4375\\n',\n", + " 'image': 'images/C01144.gif'},\n", + " 'trans-but-2-enoyl-coenzyme A': {'chebi': 'chebi:36926\\ncpd:C00877',\n", + " 'pubchem': 'pubchem:4133\\n',\n", + " 'image': 'images/C00877.gif'},\n", + " '4-(trimethylammonio)but-2-enoate(aq)': {'chebi': 'chebi:17237\\ncpd:C04114',\n", + " 'pubchem': 'pubchem:6803\\n',\n", + " 'image': 'images/C04114.gif'},\n", + " 'UDP-N-acetyl-D-galactosamine(aq)': {'chebi': 'chebi:67168\\ncpd:C00203',\n", + " 'pubchem': 'pubchem:3503\\n',\n", + " 'image': 'images/C00203.gif'},\n", + " 'D-threose(aq)': {'chebi': 'chebi:28587\\ncpd:C06463',\n", + " 'pubchem': 'pubchem:8695\\n',\n", + " 'image': 'images/C06463.gif'},\n", + " '(3,5)-cholesta-7,24-diene-3-ol(aq)': {'chebi': 'chebi:16290\\n',\n", + " 'pubchem': 'pubchem:7801\\n',\n", + " 'image': 'images/C05439.gif'},\n", + " '(3,5)-cholesta-8,24-diene-3-ol(aq)': {'chebi': 'chebi:18252\\n',\n", + " 'pubchem': 'pubchem:7800\\n',\n", + " 'image': 'images/C05437.gif'},\n", + " '3-phosphonopyruvate(aq)': {'chebi': 'chebi:30935\\n',\n", + " 'pubchem': 'pubchem:5748\\n',\n", + " 'image': 'images/C02798.gif'},\n", + " 'tRNA-Tyr(aq)': {'chebi': 'chebi:29182\\n', 'pubchem': 'pubchem:4045\\n'},\n", + " 'L-tyrosyl-tRNA-Tyr(aq)': {'chebi': 'chebi:29161\\n',\n", + " 'pubchem': 'pubchem:5781\\n',\n", + " 'image': 'images/C02839.gif'},\n", + " 'tRNA-Thr(aq)': {'chebi': 'chebi:29180\\n', 'pubchem': 'pubchem:4800\\n'},\n", + " 'L-threonyl-tRNA-Thr(aq)': {'chebi': 'chebi:29163\\n',\n", + " 'pubchem': 'pubchem:5901\\n',\n", + " 'image': 'images/C02992.gif'},\n", + " 'L-isoleusine(aq)': {'chebi': 'chebi:17191\\ncpd:C00407',\n", + " 'pubchem': 'pubchem:3697\\n',\n", + " 'image': 'images/C00407.gif'},\n", + " 'tRNA-Ile(aq)': {'chebi': 'chebi:29174\\n', 'pubchem': 'pubchem:4793\\n'},\n", + " 'L-isoleucyl-tRNA-Ile(aq)': {'chebi': 'chebi:29160\\n',\n", + " 'pubchem': 'pubchem:6020\\n',\n", + " 'image': 'images/C03127.gif'},\n", + " 'tRNA-Lys(aq)': {'chebi': 'chebi:29185\\n', 'pubchem': 'pubchem:4795\\n'},\n", + " 'L-lysyl-tRNA-Lys(aq)': {'chebi': 'chebi:16047\\n',\n", + " 'pubchem': 'pubchem:5037\\n',\n", + " 'image': 'images/C01931.gif'},\n", + " 'tRNA-Ser(aq)': {'chebi': 'chebi:29179\\n', 'pubchem': 'pubchem:4799\\n'},\n", + " 'L-seryl-tRNA-Ser(aq)': {'chebi': 'chebi:29162\\n',\n", + " 'pubchem': 'pubchem:5554\\n',\n", + " 'image': 'images/C02553.gif'},\n", + " 'tRNA-Arg(aq)': {'chebi': 'chebi:29171\\n', 'pubchem': 'pubchem:4785\\n'},\n", + " 'L-arginyl-tRNA-Arg(aq)': {'chebi': 'chebi:18366\\n',\n", + " 'pubchem': 'pubchem:5239\\n',\n", + " 'image': 'images/C02163.gif'},\n", + " 'tRNA-Phe(aq)': {'chebi': 'chebi:29184\\n', 'pubchem': 'pubchem:4797\\n'},\n", + " 'L-phenylalanyl-tRNA-Phe(aq)': {'chebi': 'chebi:29153\\n',\n", + " 'pubchem': 'pubchem:6321\\n',\n", + " 'image': 'images/C03511.gif'},\n", + " 'tRNA-His(aq)': {'chebi': 'chebi:29178\\n', 'pubchem': 'pubchem:4792\\n'},\n", + " 'L-histidyl-tRNA-His(aq)': {'chebi': 'chebi:29155\\n',\n", + " 'pubchem': 'pubchem:5897\\n',\n", + " 'image': 'images/C02988.gif'},\n", + " 'NAD+(aq)': {'chebi': 'chebi:15846\\n',\n", + " 'pubchem': 'pubchem:3305\\n',\n", + " 'image': 'images/C00003.gif'},\n", + " 'THF(aq)': {'chebi': 'chebi:20506\\ncpd:C00101',\n", + " 'pubchem': 'pubchem:3401\\n',\n", + " 'image': 'images/C00101.gif'},\n", + " '5,10-CH2-THF(aq)': {'chebi': 'chebi:1989\\n',\n", + " 'pubchem': 'pubchem:3443\\n',\n", + " 'image': 'images/C00143.gif'},\n", + " 'NH3(aq)': {'chebi': 'chebi:16134\\n',\n", + " 'pubchem': 'pubchem:3316\\n',\n", + " 'image': 'images/C00014.gif'},\n", + " 'CO2(aq)': {'chebi': 'chebi:17544\\n',\n", + " 'pubchem': 'pubchem:3583\\n',\n", + " 'image': 'images/C00288.gif'},\n", + " 'Aminoimidazole ribotide': {'chebi': 'chebi:138560\\n',\n", + " 'pubchem': 'pubchem:6208\\n',\n", + " 'image': 'images/C03373.gif'},\n", + " 'CO2': {'chebi': 'chebi:17544\\n',\n", + " 'pubchem': 'pubchem:3583\\n',\n", + " 'image': 'images/C00288.gif'},\n", + " '1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate': {'chebi': 'chebi:28413\\ncpd:C04751',\n", + " 'pubchem': 'pubchem:7321\\n',\n", + " 'image': 'images/C04751.gif'},\n", + " '10-Formyltetrahydrofolate': {'chebi': 'chebi:15637\\n',\n", + " 'pubchem': 'pubchem:3533\\n',\n", + " 'image': 'images/C00234.gif'},\n", + " 'Tetrahydrofolate': {'chebi': 'chebi:20506\\ncpd:C00101',\n", + " 'pubchem': 'pubchem:3401\\n',\n", + " 'image': 'images/C00101.gif'},\n", + " \"1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide\": {'chebi': 'chebi:18381\\ncpd:C04734',\n", + " 'pubchem': 'pubchem:7305\\n',\n", + " 'image': 'images/C04734.gif'},\n", + " 'D-Ribulose 5-phosphate': {'chebi': 'chebi:17363\\ncpd:C00199',\n", + " 'pubchem': 'pubchem:3499\\n',\n", + " 'image': 'images/C00199.gif'},\n", + " 'Formaldehyde': {'chebi': 'chebi:16842\\n',\n", + " 'pubchem': 'pubchem:3367\\n',\n", + " 'image': 'images/C00067.gif'},\n", + " 'D-arabino-Hex-3-ulose 6-phosphate': {'chebi': 'chebi:27973\\n',\n", + " 'pubchem': 'pubchem:8291\\n',\n", + " 'image': 'images/C06019.gif'},\n", + " 'D-Fructose 6-phosphate': {'chebi': 'chebi:15946\\ncpd:C00085',\n", + " 'pubchem': 'pubchem:3385\\n',\n", + " 'image': 'images/C00085.gif'},\n", + " ',-trehalose 6-phosphate(aq)': {'chebi': 'chebi:18283\\n',\n", + " 'pubchem': 'pubchem:3958\\n',\n", + " 'image': 'images/C00689.gif'}}" + ] + }, + "execution_count": 62, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "kegg_dict" + ] + }, + { + "cell_type": "code", + "execution_count": 59, + "id": "235a4853", + "metadata": {}, + "outputs": [], + "source": [ + "del kegg_dict['(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq)']" + ] + }, + { + "cell_type": "code", + "execution_count": 63, + "id": "f23f7370", + "metadata": {}, + "outputs": [], + "source": [ + "cpid['(deoxyribonucleotide)_n(aq)'] = 'kegg:C00039'\n", + "cpid['(deoxyribonucleotide)_m(aq)'] = 'kegg:C00039'\n", + "cpid['(deoxyribonucleotide)_m+n(aq)'] = 'kegg:C00039'" + ] + }, + { + "cell_type": "code", + "execution_count": 64, + "id": "02df2442", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "https://rest.kegg.jp/conv/chebi/C00039\n", + "https://rest.kegg.jp/conv/pubchem/C00039\n", + "https://rest.kegg.jp/get/C00039/image\n", + "https://rest.kegg.jp/conv/chebi/C00039\n", + "https://rest.kegg.jp/conv/pubchem/C00039\n", + "https://rest.kegg.jp/conv/chebi/C00039\n", + "https://rest.kegg.jp/conv/pubchem/C00039\n" + ] + } + ], + "source": [ + "for cpd in compounds:\n", + " name = cpd.replace('(aq)', '').replace('(l)', '')\n", + " name = name.replace('(ag)', '').replace('(sln)', '')\n", + " if cpd not in kegg_dict:\n", + " if cpd in cpid:\n", + " if 'kegg:' in cpid[cpd]:\n", + " kegg_dict[cpd] = get_kegg_info(cpid[cpd].replace('kegg:', ''))\n", + " with open('kegg_dict.pkl', 'wb') as f:\n", + " pickle.dump(kegg_dict, f)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "1956a8b6", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.13" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/maxime/TECR-SMILES-VISUALIZE.ipynb b/maxime/TECR-SMILES-VISUALIZE.ipynb new file mode 100644 index 0000000..b4dfc1c --- /dev/null +++ b/maxime/TECR-SMILES-VISUALIZE.ipynb @@ -0,0 +1,319 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 23, + "id": "74f1c0f1", + "metadata": {}, + "outputs": [], + "source": [ + "import pickle" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "id": "af831f63", + "metadata": {}, + "outputs": [], + "source": [ + "with open('cactus_dict.pkl', 'rb') as f: # generated by TECR-Hackathon-Cactus\n", + " cac = pickle.load(f)" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "id": "0e31a51d", + "metadata": {}, + "outputs": [], + "source": [ + "with open('compound_dict.pkl', 'rb') as f: # generated by TECR-Hackathon-KEGG-CheBI\n", + " comp = pickle.load(f)" + ] + }, + { + "cell_type": "code", + "execution_count": 26, + "id": "aa25f2d5", + "metadata": {}, + "outputs": [], + "source": [ + "import pandas" + ] + }, + { + "cell_type": "code", + "execution_count": 27, + "id": "2402470c", + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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namekeggsynonyms
0benzyl alcohol(aq)kegg:C00556[]
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...
2benzaldehyde(aq)kegg:C00261[]
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']
41-butanol(aq)kegg:C06142[]
............
3098D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...
3099Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']
3100D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...
3102D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...
3103,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...
\n", + "

1056 rows × 3 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \\\n", + "0 benzyl alcohol(aq) kegg:C00556 \n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "3098 D-Ribulose 5-phosphate kegg:C00199 \n", + "3099 Formaldehyde kegg:C00067 \n", + "3100 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "3102 D-Fructose 6-phosphate kegg:C00085 \n", + "3103 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "3098 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "3099 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "3100 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "3102 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "3103 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + "[1056 rows x 3 columns]" + ] + }, + "execution_count": 27, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "pandas.DataFrame(comp).astype(str).drop_duplicates()" + ] + }, + { + "cell_type": "code", + "execution_count": 28, + "id": "14656c60", + "metadata": {}, + "outputs": [], + "source": [ + "from rdkit import Chem\n", + "from rdkit.Chem import Draw" + ] + }, + { + "cell_type": "code", + "execution_count": 29, + "id": "d2fa092b-38e1-4ee1-a2db-bd4a2cd3fccd", + "metadata": {}, + "outputs": [], + "source": [ + "import os" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "id": "261db19f-d456-4ee8-b1b9-f761dec81cf7", + "metadata": {}, + "outputs": [], + "source": [ + "mkdir -p images/rdkit/" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "id": "86ee4051", + "metadata": {}, + "outputs": [], + "source": [ + "for data, values in cac.items():\n", + " if 'smiles' in values:\n", + " if not os.path.exists(f'images/rdkit/{data}.gif'):\n", + " img = Draw.MolsToImage([Chem.MolFromSmiles(values['smiles'])], subImgSize=(300,300),returnPNG=True)\n", + " with open(f'images/rdkit/{data}.gif',\"wb\") as fpng:\n", + " img.save(fpng)" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "id": "877cee0e-76da-42d3-ba7a-cf33f3493444", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Help on method save in module PIL.Image:\n", + "\n", + "save(fp, format=None, **params) method of PIL.Image.Image instance\n", + " Saves this image under the given filename. If no format is\n", + " specified, the format to use is determined from the filename\n", + " extension, if possible.\n", + "\n", + " Keyword options can be used to provide additional instructions\n", + " to the writer. If a writer doesn't recognise an option, it is\n", + " silently ignored. The available options are described in the\n", + " :doc:`image format documentation\n", + " <../handbook/image-file-formats>` for each writer.\n", + "\n", + " You can use a file object instead of a filename. In this case,\n", + " you must always specify the format. The file object must\n", + " implement the ``seek``, ``tell``, and ``write``\n", + " methods, and be opened in binary mode.\n", + "\n", + " :param fp: A filename (string), pathlib.Path object or file object.\n", + " :param format: Optional format override. If omitted, the\n", + " format to use is determined from the filename extension.\n", + " If a file object was used instead of a filename, this\n", + " parameter should always be used.\n", + " :param params: Extra parameters to the image writer.\n", + " :returns: None\n", + " :exception ValueError: If the output format could not be determined\n", + " from the file name. Use the format option to solve this.\n", + " :exception OSError: If the file could not be written. The file\n", + " may have been created, and may contain partial data.\n", + "\n" + ] + } + ], + "source": [ + "help(img.save)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "579c31c6-05f1-49e6-96f9-3b4c9f201504", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "895db01b-6d2d-4255-9bff-8904170d4f82", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.9.13" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/maxime/cactus_dict.pkl b/maxime/cactus_dict.pkl new file mode 100644 index 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zp(_NLb*eZRei!w#ZQ>K&l#srRwA0k-4mjAiWOA(98BD%p*0=-Obd{`822}hc0#vdA z6FG^_okkcff@X~a`-`3OX-$noSBf;Bv`-6jL70pb6-h%EBl!U>5cJ3^64hk>N4_w< z@C#Gk&4{IfIHR(VNV)iE$GuYQbLNA)*LzZaHG_DR0csmhBEyR!GT*0q)s#3+zB>;q zKOFCy!cB!DFG2(T?Co7w8i4ey{r$uSXl=kXyg^M9fg_^BWq$-0bs&`A@{_Z-_rS$e zKbzXh4w(@Ew%{+&LUm{SM99o${yKkV^6|96tB8=iF!|#6)gVpu9G!{)juQ%7k}J3j{yw$PiGh-qF3_AAn3tgd|dO)&t5_pUUUIxY3* zbsz`k-WSHt^3!{^O~95Z_0mBg@4L{hn&_hLt&{LH>F1YSegJwZe|A~a8Z&dqN0ePG zIi92B@eVT0v1P`KT0Y~!`26_XT?Jsc1+&JH<^iYv2i(>3gWk7%NnFFfH6cfL+4=g{ zzgu8hTH7^(_rqCrIyR=Mce|^8%2Y=*8~2HchGvt37!-dQC;iAmnVTdgntwas?pKp< z2L{6^_^o-y+qqyoNu-2PXM}NeeUbQ8b0QMIRt(mVtBmb1%7(SWNVTlo-ZWc@cl9-M zE(wU(Ip4v^<@f{GS~~7dGD>TXVB9jq_`~tp?kO#_VRN-2Mm8Fxij}4&U5?T-X@i5khpZ^GWpZ)g#0n;Fo$N&HU literal 0 HcmV?d00001 From 83281e001edd6ef99a640537ea12b461535850a7 Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 05:02:10 +0100 Subject: [PATCH 2/6] minor csv modif --- maxime/Make_final_csv.ipynb | 81 +- maxime/final_compound_csv.csv | 1424 ++++++++++++++++----------------- 2 files changed, 753 insertions(+), 752 deletions(-) diff --git a/maxime/Make_final_csv.ipynb b/maxime/Make_final_csv.ipynb index 79ae611..d3a08c8 100644 --- a/maxime/Make_final_csv.ipynb +++ b/maxime/Make_final_csv.ipynb @@ -2,7 +2,7 @@ "cells": [ { "cell_type": "code", - "execution_count": 10, + "execution_count": 5, "id": "159b9679", "metadata": {}, "outputs": [], @@ -12,7 +12,7 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 6, "id": "5db8f98f", "metadata": {}, "outputs": [ @@ -144,7 +144,7 @@ "[1052 rows x 3 columns]" ] }, - "execution_count": 11, + "execution_count": 6, "metadata": {}, "output_type": "execute_result" } @@ -156,7 +156,7 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": 7, "id": "4dbbe272", "metadata": {}, "outputs": [], @@ -166,7 +166,7 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": 8, "id": "7a0c0dd3", "metadata": {}, "outputs": [], @@ -177,7 +177,7 @@ }, { "cell_type": "code", - "execution_count": 31, + "execution_count": 9, "id": "b86e09b8", "metadata": {}, "outputs": [], @@ -196,7 +196,7 @@ }, { "cell_type": "code", - "execution_count": 33, + "execution_count": 10, "id": "135b8fb0", "metadata": {}, "outputs": [], @@ -207,7 +207,7 @@ }, { "cell_type": "code", - "execution_count": 35, + "execution_count": 11, "id": "ed9e5aaa", "metadata": {}, "outputs": [], @@ -218,7 +218,7 @@ }, { "cell_type": "code", - "execution_count": 48, + "execution_count": 12, "id": "e174684e", "metadata": {}, "outputs": [], @@ -237,7 +237,7 @@ }, { "cell_type": "code", - "execution_count": 49, + "execution_count": 13, "id": "ab840f93", "metadata": {}, "outputs": [], @@ -248,7 +248,7 @@ }, { "cell_type": "code", - "execution_count": 55, + "execution_count": 14, "id": "74b38a39", "metadata": {}, "outputs": [], @@ -258,7 +258,7 @@ }, { "cell_type": "code", - "execution_count": 60, + "execution_count": 15, "id": "428599a5", "metadata": {}, "outputs": [], @@ -287,7 +287,7 @@ }, { "cell_type": "code", - "execution_count": 71, + "execution_count": 20, "id": "5592a9d1", "metadata": {}, "outputs": [], @@ -303,12 +303,13 @@ " if not pandas.isna(row['kegg']):\n", " ckegg = row['kegg'].split()[-1] # should remove stoichiometry\n", " if ckegg in kegg_d:\n", - " kegg_img[compound] = f'https://rest.kegg.jp/get/{ckegg}/image'" + " val = ckegg[ckegg.index(':')+1:]\n", + " kegg_img[compound] = f'https://rest.kegg.jp/get/{val}/image'" ] }, { "cell_type": "code", - "execution_count": 72, + "execution_count": 21, "id": "f58821f7", "metadata": {}, "outputs": [], @@ -319,7 +320,7 @@ }, { "cell_type": "code", - "execution_count": 73, + "execution_count": 22, "id": "8b36bea4", "metadata": {}, "outputs": [ @@ -366,7 +367,7 @@ " chebi:17987\n", " pubchem:3836\n", " images/rdkit/benzyl alcohol(aq).gif\n", - " https://rest.kegg.jp/get/kegg:C00556/image\n", + " https://rest.kegg.jp/get/C00556/image\n", " \n", " \n", " 1\n", @@ -378,7 +379,7 @@ " chebi:15846\n", " pubchem:3305\n", " images/rdkit/NAD(aq).gif\n", - " https://rest.kegg.jp/get/kegg:C00003/image\n", + " https://rest.kegg.jp/get/C00003/image\n", " \n", " \n", " 2\n", @@ -390,7 +391,7 @@ " chebi:17169\n", " pubchem:3559\n", " images/rdkit/benzaldehyde(aq).gif\n", - " https://rest.kegg.jp/get/kegg:C00261/image\n", + " https://rest.kegg.jp/get/C00261/image\n", " \n", " \n", " 3\n", @@ -402,7 +403,7 @@ " chebi:16908\n", " pubchem:3306\n", " images/rdkit/NADH(aq).gif\n", - " https://rest.kegg.jp/get/kegg:C00004/image\n", + " https://rest.kegg.jp/get/C00004/image\n", " \n", " \n", " 4\n", @@ -414,7 +415,7 @@ " chebi:28885\n", " pubchem:8398\n", " images/rdkit/1-butanol(aq).gif\n", - " https://rest.kegg.jp/get/kegg:C06142/image\n", + " https://rest.kegg.jp/get/C06142/image\n", " \n", " \n", " ...\n", @@ -438,7 +439,7 @@ " chebi:17363\n", " pubchem:3499\n", " None\n", - " https://rest.kegg.jp/get/kegg:C00199/image\n", + " https://rest.kegg.jp/get/C00199/image\n", " \n", " \n", " 1048\n", @@ -450,7 +451,7 @@ " chebi:16842\n", " pubchem:3367\n", " None\n", - " https://rest.kegg.jp/get/kegg:C00067/image\n", + " https://rest.kegg.jp/get/C00067/image\n", " \n", " \n", " 1049\n", @@ -462,7 +463,7 @@ " chebi:27973\n", " pubchem:8291\n", " None\n", - " https://rest.kegg.jp/get/kegg:C06019/image\n", + " https://rest.kegg.jp/get/C06019/image\n", " \n", " \n", " 1050\n", @@ -474,7 +475,7 @@ " chebi:15946\n", " pubchem:3385\n", " None\n", - " https://rest.kegg.jp/get/kegg:C00085/image\n", + " https://rest.kegg.jp/get/C00085/image\n", " \n", " \n", " 1051\n", @@ -486,7 +487,7 @@ " chebi:18283\n", " pubchem:3958\n", " None\n", - " https://rest.kegg.jp/get/kegg:C00689/image\n", + " https://rest.kegg.jp/get/C00689/image\n", " \n", " \n", "\n", @@ -559,23 +560,23 @@ "1050 pubchem:3385 None \n", "1051 pubchem:3958 None \n", "\n", - " kegg_img \n", - "0 https://rest.kegg.jp/get/kegg:C00556/image \n", - "1 https://rest.kegg.jp/get/kegg:C00003/image \n", - "2 https://rest.kegg.jp/get/kegg:C00261/image \n", - "3 https://rest.kegg.jp/get/kegg:C00004/image \n", - "4 https://rest.kegg.jp/get/kegg:C06142/image \n", - "... ... \n", - "1047 https://rest.kegg.jp/get/kegg:C00199/image \n", - "1048 https://rest.kegg.jp/get/kegg:C00067/image \n", - "1049 https://rest.kegg.jp/get/kegg:C06019/image \n", - "1050 https://rest.kegg.jp/get/kegg:C00085/image \n", - "1051 https://rest.kegg.jp/get/kegg:C00689/image \n", + " kegg_img \n", + "0 https://rest.kegg.jp/get/C00556/image \n", + "1 https://rest.kegg.jp/get/C00003/image \n", + "2 https://rest.kegg.jp/get/C00261/image \n", + "3 https://rest.kegg.jp/get/C00004/image \n", + "4 https://rest.kegg.jp/get/C06142/image \n", + "... ... \n", + "1047 https://rest.kegg.jp/get/C00199/image \n", + "1048 https://rest.kegg.jp/get/C00067/image \n", + "1049 https://rest.kegg.jp/get/C06019/image \n", + "1050 https://rest.kegg.jp/get/C00085/image \n", + "1051 https://rest.kegg.jp/get/C00689/image \n", "\n", "[1052 rows x 9 columns]" ] }, - "execution_count": 73, + "execution_count": 22, "metadata": {}, "output_type": "execute_result" } @@ -586,7 +587,7 @@ }, { "cell_type": "code", - "execution_count": 74, + "execution_count": 19, "id": "652774c0", "metadata": {}, "outputs": [], diff --git a/maxime/final_compound_csv.csv b/maxime/final_compound_csv.csv index 7b3bc88..93e7794 100644 --- a/maxime/final_compound_csv.csv +++ b/maxime/final_compound_csv.csv @@ -1,115 +1,115 @@ name,kegg,synonyms,inchikey,smiles,chebis,pubchems,rdkit_img,kegg_img -benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/kegg:C00556/image -NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/kegg:C00003/image -benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00261/image -NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/kegg:C00004/image -1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/kegg:C06142/image -butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/kegg:C01412/image -cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/kegg:C00854/image -cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/kegg:C00414/image -ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/kegg:C00469/image -acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00084/image +benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/:/image +NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/:/image +benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/:/image +NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/:/image +1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/:/image +butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/:/image +cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/:/image +cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/:/image +ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/:/image +acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/:/image AP-NAD(aq),COCO:COCOM00012,[],,,,,, AP-NADH(aq),COCO:COCOM00013,[],,,,,, desamino NAD(aq),,[],,,,,, desamino NADH(aq),,[],,,,,, 1-hexanol,,[],,,,,, -NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/kegg:C00003/image +NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image hexanal,,[],,,,,, NADH,,[],,,,,, -cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/kegg:C08492/image -cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/kegg:C16310/image +cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/:/image +cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/:/image trans-2-hexen-1-ol,,[],,,,,images/rdkit/trans-2-hexen-1-ol.gif, trans-2-hexenal,,[],,,,,images/rdkit/trans-2-hexenal.gif, 1-nonanol,,[],,,,,images/rdkit/1-nonanol.gif, nonanal,,[],,,,,images/rdkit/nonanal.gif, -1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/kegg:C00756/image -octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/kegg:C01545/image -1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/kegg:C05979/image -propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/kegg:C00479/image -2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/kegg:C01845/image -acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/kegg:C00207/image -vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/kegg:C00473/image -vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00376/image -L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/kegg:C00263/image -L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00441/image -NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/kegg:C00006/image -NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/kegg:C00005/image -"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/kegg:C03044/image -(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/kegg:C00810/image -glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/kegg:C00116/image -dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/kegg:C00184/image -sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00093/image -dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00111/image -sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/kegg:C00093/image +1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/:/image +octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/:/image +1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/:/image +propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/:/image +2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/:/image +acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/:/image +vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/:/image +vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/:/image +L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/:/image +L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/:/image +NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/:/image +NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/:/image +"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/:/image +(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/:/image +glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/:/image +dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/:/image +sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/:/image +sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/:/image allitol(aq),,[],,,,,images/rdkit/allitol(aq).gif, -D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/kegg:C06468/image +D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/:/image D-glycero-D-glucoheptitol(aq),,[],,,,,images/rdkit/D-glycero-D-glucoheptitol(aq).gif, D-sedoheptulose(aq),,[],,,,,images/rdkit/D-sedoheptulose(aq).gif, -L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/kegg:C01507/image -L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/kegg:C00247/image -ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/kegg:C00474/image -D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/kegg:C00309/image -D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/kegg:C00794/image -D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/kegg:C00095/image +L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/:/image +L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/:/image +ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/:/image +D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/:/image +D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/:/image +D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/:/image L-threitol(aq),,[],,,,,images/rdkit/L-threitol(aq).gif, -L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/kegg:C02045/image -xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/kegg:C00379/image -D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/kegg:C00310/image -L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/kegg:C00312/image -galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/kegg:C01697/image -D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/kegg:C00795/image -D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/kegg:C00392/image -D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00644/image -D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00085/image +L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/:/image +xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/:/image +D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/:/image +L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/:/image +galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/:/image +D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/:/image +D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/:/image +D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image myo-inositol,,[],,,,,images/rdkit/myo-inositol.gif, 2-oxo-myo-inositol,,[],,,,,, -D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/kegg:C00181/image -quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/kegg:C00296/image -5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/kegg:C00944/image -shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/kegg:C00493/image -3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/kegg:C02637/image -(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/kegg:C00258/image -hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C00168/image -glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/kegg:C00160/image -glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/kegg:C00048/image -2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/kegg:C05984/image -2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/kegg:C00109/image +D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/:/image +quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/:/image +5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/:/image +shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/:/image +3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/:/image +(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/:/image +hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image +glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/:/image +glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/:/image +2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/:/image +2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/:/image "2,4-dihydroxybutanoate(aq)",,[],,,,,, 2-oxo-4-hydroxybutanoate(aq),,[],,,,,, -(S)-lactate(aq),kegg:C00186,[],,,chebi:16651,pubchem:3486,,https://rest.kegg.jp/get/kegg:C00186/image -pyruvate(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/kegg:C00022/image -(R)-lactate(aq),kegg:C00256,[],,,chebi:16004,pubchem:3555,,https://rest.kegg.jp/get/kegg:C00256/image -(R)-3-hydroxybutanoate(aq),kegg:C01089,[],,,chebi:10983,pubchem:4324,,https://rest.kegg.jp/get/kegg:C01089/image -3-oxobutanoate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/kegg:C00164/image -3-hydroxy-2-methylpropanoate(aq),kegg:C01188,[],,,chebi:11805,pubchem:4414,,https://rest.kegg.jp/get/kegg:C01188/image -2-methyl-3-oxopropanoate(aq),kegg:C00349,[],,,chebi:16256,pubchem:3642,,https://rest.kegg.jp/get/kegg:C00349/image -(S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/kegg:C01144/image -3-oxobutanoyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/kegg:C00332/image -(S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,,https://rest.kegg.jp/get/kegg:C05268/image -3-oxohexanoyl-CoA(aq),kegg:C05269,[],,,chebi:27648,pubchem:7656,,https://rest.kegg.jp/get/kegg:C05269/image -(S)-malate(aq),kegg:C00149,[],,,chebi:15589,pubchem:3449,,https://rest.kegg.jp/get/kegg:C00149/image -oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,,https://rest.kegg.jp/get/kegg:C00036/image -meso-tartrate(aq),kegg:C00552,[],,,chebi:15673,pubchem:3833,,https://rest.kegg.jp/get/kegg:C00552/image -(E)-dihydroxyfumarate(aq),kegg:C00975,[],,,chebi:17795,pubchem:4224,,https://rest.kegg.jp/get/kegg:C00975/image -2-oxo-3-hydroxysuccinate(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/kegg:C03459/image -L-glutamate(aq),kegg:C00025,[],,,chebi:16015,pubchem:3327,,https://rest.kegg.jp/get/kegg:C00025/image -L-aspartate(aq),kegg:C00049,[],,,chebi:17053,pubchem:3351,,https://rest.kegg.jp/get/kegg:C00049/image -2-oxoglutarate(aq),kegg:C00026,[],,,chebi:16810,pubchem:3328,,https://rest.kegg.jp/get/kegg:C00026/image -acetyl-CoA(aq),kegg:C00024,[],,,chebi:15351,pubchem:3326,,https://rest.kegg.jp/get/kegg:C00024/image -H2O(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/kegg:C00001/image -citrate(aq),kegg:C00158,[],,,chebi:16947,pubchem:3458,,https://rest.kegg.jp/get/kegg:C00158/image -CoA(aq),kegg:C00010,[],,,chebi:15346,pubchem:3312,,https://rest.kegg.jp/get/kegg:C00010/image -carbon dioxide(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/kegg:C00288/image -isocitrate(aq),kegg:C00311,[],,,chebi:16087,pubchem:3605,,https://rest.kegg.jp/get/kegg:C00311/image -6-phospho-D-gluconate(aq),kegg:C00345,[],,,chebi:48928,pubchem:3638,,https://rest.kegg.jp/get/kegg:C00345/image -D-ribulose 5-phosphate(aq),kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/kegg:C00199/image --D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/kegg:C00031/image -"D-glucono-1,5-lactone(aq)",kegg:C00198,[],,,chebi:16217,pubchem:3498,,https://rest.kegg.jp/get/kegg:C00198/image -D-galactose(aq),kegg:C00124,[],,,chebi:4139,pubchem:3424,,https://rest.kegg.jp/get/kegg:C00124/image -"D-galactono-1,4-lactone(aq)",kegg:C03383,[],,,chebi:15895,pubchem:6218,,https://rest.kegg.jp/get/kegg:C03383/image -D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/kegg:C00092/image -"D-glucono-1,5-lactone 6-phosphate(aq)",kegg:C01236,[],,,chebi:16938,pubchem:4457,,https://rest.kegg.jp/get/kegg:C01236/image +(S)-lactate(aq),kegg:C00186,[],,,chebi:16651,pubchem:3486,,https://rest.kegg.jp/get/:/image +pyruvate(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/:/image +(R)-lactate(aq),kegg:C00256,[],,,chebi:16004,pubchem:3555,,https://rest.kegg.jp/get/:/image +(R)-3-hydroxybutanoate(aq),kegg:C01089,[],,,chebi:10983,pubchem:4324,,https://rest.kegg.jp/get/:/image +3-oxobutanoate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/:/image +3-hydroxy-2-methylpropanoate(aq),kegg:C01188,[],,,chebi:11805,pubchem:4414,,https://rest.kegg.jp/get/:/image +2-methyl-3-oxopropanoate(aq),kegg:C00349,[],,,chebi:16256,pubchem:3642,,https://rest.kegg.jp/get/:/image +(S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image +3-oxobutanoyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/:/image +(S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,,https://rest.kegg.jp/get/:/image +3-oxohexanoyl-CoA(aq),kegg:C05269,[],,,chebi:27648,pubchem:7656,,https://rest.kegg.jp/get/:/image +(S)-malate(aq),kegg:C00149,[],,,chebi:15589,pubchem:3449,,https://rest.kegg.jp/get/:/image +oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,,https://rest.kegg.jp/get/:/image +meso-tartrate(aq),kegg:C00552,[],,,chebi:15673,pubchem:3833,,https://rest.kegg.jp/get/:/image +(E)-dihydroxyfumarate(aq),kegg:C00975,[],,,chebi:17795,pubchem:4224,,https://rest.kegg.jp/get/:/image +2-oxo-3-hydroxysuccinate(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/:/image +L-glutamate(aq),kegg:C00025,[],,,chebi:16015,pubchem:3327,,https://rest.kegg.jp/get/:/image +L-aspartate(aq),kegg:C00049,[],,,chebi:17053,pubchem:3351,,https://rest.kegg.jp/get/:/image +2-oxoglutarate(aq),kegg:C00026,[],,,chebi:16810,pubchem:3328,,https://rest.kegg.jp/get/:/image +acetyl-CoA(aq),kegg:C00024,[],,,chebi:15351,pubchem:3326,,https://rest.kegg.jp/get/:/image +H2O(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image +citrate(aq),kegg:C00158,[],,,chebi:16947,pubchem:3458,,https://rest.kegg.jp/get/:/image +CoA(aq),kegg:C00010,[],,,chebi:15346,pubchem:3312,,https://rest.kegg.jp/get/:/image +carbon dioxide(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image +isocitrate(aq),kegg:C00311,[],,,chebi:16087,pubchem:3605,,https://rest.kegg.jp/get/:/image +6-phospho-D-gluconate(aq),kegg:C00345,[],,,chebi:48928,pubchem:3638,,https://rest.kegg.jp/get/:/image +D-ribulose 5-phosphate(aq),kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/:/image +-D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/:/image +"D-glucono-1,5-lactone(aq)",kegg:C00198,[],,,chebi:16217,pubchem:3498,,https://rest.kegg.jp/get/:/image +D-galactose(aq),kegg:C00124,[],,,chebi:4139,pubchem:3424,,https://rest.kegg.jp/get/:/image +"D-galactono-1,4-lactone(aq)",kegg:C03383,[],,,chebi:15895,pubchem:6218,,https://rest.kegg.jp/get/:/image +D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image +"D-glucono-1,5-lactone 6-phosphate(aq)",kegg:C01236,[],,,chebi:16938,pubchem:4457,,https://rest.kegg.jp/get/:/image 5α-androstane-3α-ol-17-one(aq),,[],,,,,, "5α-androstane-3,17-dione(aq)",,[],,,,,, "5α-androstane-3α,17β-diol(aq)",,[],,,,,, @@ -126,60 +126,60 @@ TNADH(aq),,[],,,,,, "5β-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, "5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", 5alpha-androstane-17alpha-ol-3-one(aq),,[],,,,,, -4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/kegg:C00535/image -"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/kegg:C00280/image +4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/:/image +"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/:/image "5α-pregnane-3β,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5α-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/kegg:C00583/image -L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00424/image -3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/kegg:C01013/image -3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/kegg:C00222/image -2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/kegg:C01146/image -4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/kegg:C00989/image -4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/kegg:C00232/image -estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/kegg:C00951/image -estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/kegg:C00468/image -D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/kegg:C00257/image +"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/:/image +L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/:/image +3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/:/image +3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/:/image +2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/:/image +4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/:/image +4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/:/image +estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/:/image +estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/:/image +D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/:/image 5-oxo-D-gluconate(aq),,[],,,,,, -(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00577/image -3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/kegg:C00197/image -3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C03232/image -"-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/kegg:C04367/image -"-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/kegg:C01244/image -3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/kegg:C03351/image -3-hydroxybenzaldehyde(aq),kegg:C03067,[],,,chebi:16207,pubchem:5967,,https://rest.kegg.jp/get/kegg:C03067/image -(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq),kegg:C04618,[],,,,pubchem:7208,,https://rest.kegg.jp/get/kegg:C04618/image +(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/:/image +3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/:/image +3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image +"-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/:/image +"-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/:/image +3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/:/image +3-hydroxybenzaldehyde(aq),kegg:C03067,[],,,chebi:16207,pubchem:5967,,https://rest.kegg.jp/get/:/image +(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq),kegg:C04618,[],,,,pubchem:7208,,https://rest.kegg.jp/get/:/image 3-oxobutanoyl-[acyl-carrier protein](aq),,[],,,,,, -L-carnitine(aq),kegg:C00318,[],,,chebi:16347,pubchem:3612,,https://rest.kegg.jp/get/kegg:C00318/image -3-dehydrocarnitine(aq),kegg:C02636,[],,,chebi:16758,pubchem:5616,,https://rest.kegg.jp/get/kegg:C02636/image -indole-3-lactate(aq),kegg:C02043,[],,,chebi:17282,pubchem:5133,,https://rest.kegg.jp/get/kegg:C02043/image -indole-3-pyruvate(aq),kegg:C00331,[],,,chebi:29750,pubchem:3625,,https://rest.kegg.jp/get/kegg:C00331/image -D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/kegg:C00031/image -5-dehydro-D-fructose(aq),kegg:C00273,[],,,chebi:17011,pubchem:3571,,https://rest.kegg.jp/get/kegg:C00273/image -2-deoxy-D-gluconate(aq),kegg:C02782,[],,,chebi:16138,pubchem:5733,,https://rest.kegg.jp/get/kegg:C02782/image -2-deoxy-3-dehydro-D-gluconate(aq),kegg:C03926,[],,,chebi:16622,pubchem:6654,,https://rest.kegg.jp/get/kegg:C03926/image -L-threonate(aq),kegg:C01620,[],,,chebi:49060,pubchem:4772,,https://rest.kegg.jp/get/kegg:C01620/image -3-oxo-L-threonate(aq),kegg:C03064,[],,,chebi:16943,pubchem:5964,,https://rest.kegg.jp/get/kegg:C03064/image -D-sorbitol 6-phosphate(aq),kegg:C01096,[],,,chebi:17044,pubchem:4331,,https://rest.kegg.jp/get/kegg:C01096/image -prostaglandin E1(aq),kegg:C04741,[],,,chebi:15544,pubchem:7312,,https://rest.kegg.jp/get/kegg:C04741/image -15-oxo-prostaglandin E1(aq),kegg:C04654,[],,,chebi:15548,pubchem:7240,,https://rest.kegg.jp/get/kegg:C04654/image +L-carnitine(aq),kegg:C00318,[],,,chebi:16347,pubchem:3612,,https://rest.kegg.jp/get/:/image +3-dehydrocarnitine(aq),kegg:C02636,[],,,chebi:16758,pubchem:5616,,https://rest.kegg.jp/get/:/image +indole-3-lactate(aq),kegg:C02043,[],,,chebi:17282,pubchem:5133,,https://rest.kegg.jp/get/:/image +indole-3-pyruvate(aq),kegg:C00331,[],,,chebi:29750,pubchem:3625,,https://rest.kegg.jp/get/:/image +D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/:/image +5-dehydro-D-fructose(aq),kegg:C00273,[],,,chebi:17011,pubchem:3571,,https://rest.kegg.jp/get/:/image +2-deoxy-D-gluconate(aq),kegg:C02782,[],,,chebi:16138,pubchem:5733,,https://rest.kegg.jp/get/:/image +2-deoxy-3-dehydro-D-gluconate(aq),kegg:C03926,[],,,chebi:16622,pubchem:6654,,https://rest.kegg.jp/get/:/image +L-threonate(aq),kegg:C01620,[],,,chebi:49060,pubchem:4772,,https://rest.kegg.jp/get/:/image +3-oxo-L-threonate(aq),kegg:C03064,[],,,chebi:16943,pubchem:5964,,https://rest.kegg.jp/get/:/image +D-sorbitol 6-phosphate(aq),kegg:C01096,[],,,chebi:17044,pubchem:4331,,https://rest.kegg.jp/get/:/image +prostaglandin E1(aq),kegg:C04741,[],,,chebi:15544,pubchem:7312,,https://rest.kegg.jp/get/:/image +15-oxo-prostaglandin E1(aq),kegg:C04654,[],,,chebi:15548,pubchem:7240,,https://rest.kegg.jp/get/:/image "4-pregnene-11β,17α,21-triol-3,20-dione(aq)",,[],,,,,, "4-pregnene-11β,17α-diol-3,20,21-trione( aq)",,[],,,,,, -"7,8-dihydrobiopterin(aq)",kegg:C02953,[],,,chebi:64277,pubchem:5871,,https://rest.kegg.jp/get/kegg:C02953/image -sepiapterin(aq),kegg:C00835,[],,,chebi:16095,pubchem:4093,,https://rest.kegg.jp/get/kegg:C00835/image -coniferyl alcohol(aq),kegg:C00590,[],,,chebi:17745,pubchem:3869,,https://rest.kegg.jp/get/kegg:C00590/image -coniferyl aldehyde(aq),kegg:C02666,[],,,chebi:16547,pubchem:5637,,https://rest.kegg.jp/get/kegg:C02666/image -(R)-2-hydroxyglutarate(aq),kegg:C01087,[],,,chebi:15801,pubchem:4322,,https://rest.kegg.jp/get/kegg:C01087/image -2-oxo-D-gluconate(aq),kegg:C06473,[],,,chebi:27469,pubchem:8705,,https://rest.kegg.jp/get/kegg:C06473/image -lactose(aq),kegg:C00243,[],,,chebi:17716,pubchem:3542,,https://rest.kegg.jp/get/kegg:C00243/image -cytochrome c(aq),4 kegg:C00125,[],,,chebi:15991,pubchem:3425,,https://rest.kegg.jp/get/kegg:C00125/image -3-oxolactose(aq),kegg:C05403,[],,,chebi:27571,pubchem:7770,,https://rest.kegg.jp/get/kegg:C05403/image -reduced cytochrome c(aq),4 kegg:C00126,[],,,chebi:16928,pubchem:3426,,https://rest.kegg.jp/get/kegg:C00126/image -formate(aq),kegg:C00058,[],,,chebi:15740,pubchem:3358,,https://rest.kegg.jp/get/kegg:C00058/image -orthophosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/kegg:C00009/image -L-4-aspartyl phosphate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/kegg:C03082/image -L-aspartate-4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,,https://rest.kegg.jp/get/kegg:C00441/image -D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/kegg:C00118/image +"7,8-dihydrobiopterin(aq)",kegg:C02953,[],,,chebi:64277,pubchem:5871,,https://rest.kegg.jp/get/:/image +sepiapterin(aq),kegg:C00835,[],,,chebi:16095,pubchem:4093,,https://rest.kegg.jp/get/:/image +coniferyl alcohol(aq),kegg:C00590,[],,,chebi:17745,pubchem:3869,,https://rest.kegg.jp/get/:/image +coniferyl aldehyde(aq),kegg:C02666,[],,,chebi:16547,pubchem:5637,,https://rest.kegg.jp/get/:/image +(R)-2-hydroxyglutarate(aq),kegg:C01087,[],,,chebi:15801,pubchem:4322,,https://rest.kegg.jp/get/:/image +2-oxo-D-gluconate(aq),kegg:C06473,[],,,chebi:27469,pubchem:8705,,https://rest.kegg.jp/get/:/image +lactose(aq),kegg:C00243,[],,,chebi:17716,pubchem:3542,,https://rest.kegg.jp/get/:/image +cytochrome c(aq),4 kegg:C00125,[],,,chebi:15991,pubchem:3425,,https://rest.kegg.jp/get/:/image +3-oxolactose(aq),kegg:C05403,[],,,chebi:27571,pubchem:7770,,https://rest.kegg.jp/get/:/image +reduced cytochrome c(aq),4 kegg:C00126,[],,,chebi:16928,pubchem:3426,,https://rest.kegg.jp/get/:/image +formate(aq),kegg:C00058,[],,,chebi:15740,pubchem:3358,,https://rest.kegg.jp/get/:/image +orthophosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image +L-4-aspartyl phosphate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/:/image +L-aspartate-4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,,https://rest.kegg.jp/get/:/image +D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/:/image (aminomethyl)phosphoate(aq),,[],,,,,, (3-phospho-D-glyceroyl-animomethyl)phosphate(aq),,[],,,,,, (chloroethyl)phosphoate(aq),,[],,,,,, @@ -192,99 +192,99 @@ D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq) (3-phospho-D-glyceroyl-methoxy)phosphate(aq),,[],,,,,, (methyl)phosphoate(aq),,[],,,,,, (3-phospho-D-glyceroyl-methyl)phosphate(aq),,[],,,,,, -3-phospho-D-glyceroyl phosphate(aq),kegg:C00236,[],,,chebi:16001,pubchem:3535,,https://rest.kegg.jp/get/kegg:C00236/image +3-phospho-D-glyceroyl phosphate(aq),kegg:C00236,[],,,chebi:16001,pubchem:3535,,https://rest.kegg.jp/get/:/image phosphonate(aq),,[],,,,,, (3-phospho-D-glyceroyl)phosphonate(aq),,[],,,,,, -ADP(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/kegg:C00008/image -ATP(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/kegg:C00002/image -oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/get/kegg:C00313/image -succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/kegg:C00042/image -O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/kegg:C00007/image -fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/kegg:C00122/image -(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/kegg:C00337/image -orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/kegg:C00295/image -L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/kegg:C00041/image -ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/kegg:C00014/image -L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/kegg:C00123/image -4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/kegg:C00233/image +ADP(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/:/image +ATP(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image +oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/get/:/image +succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/:/image +O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image +fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/:/image +(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/:/image +orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/:/image +L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/:/image +ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/:/image +L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/:/image +4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/:/image glycine(ag),,[],,,,,images/rdkit/glycine(ag).gif, -"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/kegg:C01186/image -(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/kegg:C03656/image -"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/kegg:C03943/image -2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/kegg:C03341/image -(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/kegg:C00148/image -D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/kegg:C03564/image -D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/kegg:C03912/image -"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/kegg:C00415/image -folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/kegg:C00504/image -"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/kegg:C00101/image -"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/kegg:C00143/image -"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/kegg:C00445/image -N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/kegg:C04137/image -L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/kegg:C00062/image -"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/kegg:C03210/image +"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/:/image +(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/:/image +"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/:/image +2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/:/image +(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/:/image +D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/:/image +D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/:/image +"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/:/image +folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/:/image +"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image +"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image +"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image +N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/:/image +L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/:/image +"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/:/image 2-methyliminodiacetatc(aq),,[],,,,,, H20(l),,[],,,,,, -glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/kegg:C00037/image -L-pipecolate(aq),kegg:C00408,[],,,chebi:30633,pubchem:3698,,https://rest.kegg.jp/get/kegg:C00408/image -D-1-piperidine-2-carboxylate(aq),kegg:C04092,[],,,chebi:30912,pubchem:6784,,https://rest.kegg.jp/get/kegg:C04092/image -reduced glutathione(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/kegg:C00051/image -oxidized glutathione(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/kegg:C00127/image -reduced thioredoxin(aq),kegg:C00342,[],,,chebi:15033,pubchem:3635,,https://rest.kegg.jp/get/kegg:C00342/image -oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest.kegg.jp/get/kegg:C00343/image -5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/kegg:C00440/image -flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/kegg:C00016/image -reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/kegg:C01352/image -dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/kegg:C00579/image -lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/kegg:C00248/image -dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/kegg:C02147/image --lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/kegg:C00725/image -CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/kegg:C00920/image -H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/kegg:C00282/image -betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/kegg:C00719/image -L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/kegg:C00155/image -"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/kegg:C01026/image -L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/kegg:C00073/image -dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/kegg:C03392/image -S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/kegg:C03173/image +glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/:/image +L-pipecolate(aq),kegg:C00408,[],,,chebi:30633,pubchem:3698,,https://rest.kegg.jp/get/:/image +D-1-piperidine-2-carboxylate(aq),kegg:C04092,[],,,chebi:30912,pubchem:6784,,https://rest.kegg.jp/get/:/image +reduced glutathione(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image +oxidized glutathione(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/:/image +reduced thioredoxin(aq),kegg:C00342,[],,,chebi:15033,pubchem:3635,,https://rest.kegg.jp/get/:/image +oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest.kegg.jp/get/:/image +5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/:/image +flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/:/image +reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/:/image +dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/:/image +lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/:/image +dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/:/image +-lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/:/image +CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/:/image +H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/:/image +betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/:/image +L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/:/image +"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/:/image +L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/:/image +dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/:/image +S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/:/image dimethylpropiothetin(aq),,[],,,,,images/rdkit/dimethylpropiothetin(aq).gif, S-methyltpropiothetin(aq),,[],,,,,, S-methylmethionine(aq),,[],,,,,, -trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/kegg:C01008/image -dimethylsulfide(aq),kegg:C00580,[],,,chebi:17437,pubchem:3859,,https://rest.kegg.jp/get/kegg:C00580/image -S-adenosyl-L-methionine(aq),kegg:C00019,[],,,chebi:67040,pubchem:3321,,https://rest.kegg.jp/get/kegg:C00019/image -S-adenosyl-L-homocysteine(aq),kegg:C00021,[],,,chebi:16680,pubchem:3323,,https://rest.kegg.jp/get/kegg:C00021/image -dUMP(aq),kegg:C00365,[],,,chebi:17622,pubchem:3656,,https://rest.kegg.jp/get/kegg:C00365/image -dihydrofolate(aq),kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,,https://rest.kegg.jp/get/kegg:C00415/image -dTMP(aq),kegg:C00364,[],,,chebi:17013,pubchem:3655,,https://rest.kegg.jp/get/kegg:C00364/image -L-threonine(aq),kegg:C00188,[],,,chebi:16857,pubchem:3488,,https://rest.kegg.jp/get/kegg:C00188/image -formaldehyde(aq),kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/kegg:C00067/image -L-serine(aq),kegg:C00065,[],,,chebi:17115,pubchem:3365,,https://rest.kegg.jp/get/kegg:C00065/image -tetrahydrofolate(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/kegg:C00101/image -5-formiminotetrahydrofolate(aq),kegg:C00664,[],,,chebi:15639,pubchem:3933,,https://rest.kegg.jp/get/kegg:C00664/image -N-formiminoglycine(aq),kegg:C02718,[],,,chebi:18415,pubchem:5681,,https://rest.kegg.jp/get/kegg:C02718/image -N-formimino-L-glutamate(aq),kegg:C00439,[],,,chebi:18327,pubchem:3728,,https://rest.kegg.jp/get/kegg:C00439/image -2-hydroxymethylserine(aq),kegg:C03059,[],,,chebi:28187,pubchem:5959,,https://rest.kegg.jp/get/kegg:C03059/image -D-serine(aq),kegg:C00740,[],,,chebi:16523,pubchem:4003,,https://rest.kegg.jp/get/kegg:C00740/image -2-methylserine(aq),kegg:C02115,[],,,chebi:74819,pubchem:5195,,https://rest.kegg.jp/get/kegg:C02115/image -D-alanine(aq),kegg:C00133,[],,,chebi:15570,pubchem:3433,,https://rest.kegg.jp/get/kegg:C00133/image -propanoyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/kegg:C00100/image -methylmalonyl-CoA(aq),kegg:C02557,[],,,chebi:16625,pubchem:5558,,https://rest.kegg.jp/get/kegg:C02557/image -carbamoyl phosphate(aq),kegg:C00169,[],,,chebi:17672,pubchem:3469,,https://rest.kegg.jp/get/kegg:C00169/image -L-ornithine(aq),kegg:C00077,[],,,chebi:15729,pubchem:3377,,https://rest.kegg.jp/get/kegg:C00077/image -L-citrulline(aq),kegg:C00327,[],,,chebi:16349,pubchem:3621,,https://rest.kegg.jp/get/kegg:C00327/image -guanidinoacetate(aq),kegg:C00581,[],,,chebi:16344,pubchem:3860,,https://rest.kegg.jp/get/kegg:C00581/image -D-erythrose 4-phosphate(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/kegg:C00279/image -D-xylulose 5-phosphate(aq),kegg:C00231,[],,,chebi:16332,pubchem:3530,,https://rest.kegg.jp/get/kegg:C00231/image -D-erythrose 4-phospahte(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/kegg:C00279/image -glycolaldehyde(aq),kegg:C00266,[],,,chebi:17071,pubchem:3564,,https://rest.kegg.jp/get/kegg:C00266/image -sedoheptulose 7-phosphate(aq),kegg:C05382,[],,,chebi:15721,pubchem:7756,,https://rest.kegg.jp/get/kegg:C05382/image -D-ribose 5-phosphate(aq),kegg:C00117,[],,,chebi:17797,pubchem:3417,,https://rest.kegg.jp/get/kegg:C00117/image -D-glyceraldehyde-3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/kegg:C00118/image -D-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,,https://rest.kegg.jp/get/kegg:C00577/image -acetyl phosphate(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/kegg:C00227/image -imidazole(aq),kegg:C01589,[],,,chebi:16069,pubchem:4744,,https://rest.kegg.jp/get/kegg:C01589/image -N-acetylimidazole(aq),kegg:C02560,[],,,chebi:16984,pubchem:5560,,https://rest.kegg.jp/get/kegg:C02560/image +trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/:/image +dimethylsulfide(aq),kegg:C00580,[],,,chebi:17437,pubchem:3859,,https://rest.kegg.jp/get/:/image +S-adenosyl-L-methionine(aq),kegg:C00019,[],,,chebi:67040,pubchem:3321,,https://rest.kegg.jp/get/:/image +S-adenosyl-L-homocysteine(aq),kegg:C00021,[],,,chebi:16680,pubchem:3323,,https://rest.kegg.jp/get/:/image +dUMP(aq),kegg:C00365,[],,,chebi:17622,pubchem:3656,,https://rest.kegg.jp/get/:/image +dihydrofolate(aq),kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,,https://rest.kegg.jp/get/:/image +dTMP(aq),kegg:C00364,[],,,chebi:17013,pubchem:3655,,https://rest.kegg.jp/get/:/image +L-threonine(aq),kegg:C00188,[],,,chebi:16857,pubchem:3488,,https://rest.kegg.jp/get/:/image +formaldehyde(aq),kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/:/image +L-serine(aq),kegg:C00065,[],,,chebi:17115,pubchem:3365,,https://rest.kegg.jp/get/:/image +tetrahydrofolate(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image +5-formiminotetrahydrofolate(aq),kegg:C00664,[],,,chebi:15639,pubchem:3933,,https://rest.kegg.jp/get/:/image +N-formiminoglycine(aq),kegg:C02718,[],,,chebi:18415,pubchem:5681,,https://rest.kegg.jp/get/:/image +N-formimino-L-glutamate(aq),kegg:C00439,[],,,chebi:18327,pubchem:3728,,https://rest.kegg.jp/get/:/image +2-hydroxymethylserine(aq),kegg:C03059,[],,,chebi:28187,pubchem:5959,,https://rest.kegg.jp/get/:/image +D-serine(aq),kegg:C00740,[],,,chebi:16523,pubchem:4003,,https://rest.kegg.jp/get/:/image +2-methylserine(aq),kegg:C02115,[],,,chebi:74819,pubchem:5195,,https://rest.kegg.jp/get/:/image +D-alanine(aq),kegg:C00133,[],,,chebi:15570,pubchem:3433,,https://rest.kegg.jp/get/:/image +propanoyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/:/image +methylmalonyl-CoA(aq),kegg:C02557,[],,,chebi:16625,pubchem:5558,,https://rest.kegg.jp/get/:/image +carbamoyl phosphate(aq),kegg:C00169,[],,,chebi:17672,pubchem:3469,,https://rest.kegg.jp/get/:/image +L-ornithine(aq),kegg:C00077,[],,,chebi:15729,pubchem:3377,,https://rest.kegg.jp/get/:/image +L-citrulline(aq),kegg:C00327,[],,,chebi:16349,pubchem:3621,,https://rest.kegg.jp/get/:/image +guanidinoacetate(aq),kegg:C00581,[],,,chebi:16344,pubchem:3860,,https://rest.kegg.jp/get/:/image +D-erythrose 4-phosphate(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/:/image +D-xylulose 5-phosphate(aq),kegg:C00231,[],,,chebi:16332,pubchem:3530,,https://rest.kegg.jp/get/:/image +D-erythrose 4-phospahte(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/:/image +glycolaldehyde(aq),kegg:C00266,[],,,chebi:17071,pubchem:3564,,https://rest.kegg.jp/get/:/image +sedoheptulose 7-phosphate(aq),kegg:C05382,[],,,chebi:15721,pubchem:7756,,https://rest.kegg.jp/get/:/image +D-ribose 5-phosphate(aq),kegg:C00117,[],,,chebi:17797,pubchem:3417,,https://rest.kegg.jp/get/:/image +D-glyceraldehyde-3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/:/image +D-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,,https://rest.kegg.jp/get/:/image +acetyl phosphate(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/:/image +imidazole(aq),kegg:C01589,[],,,chebi:16069,pubchem:4744,,https://rest.kegg.jp/get/:/image +N-acetylimidazole(aq),kegg:C02560,[],,,chebi:16984,pubchem:5560,,https://rest.kegg.jp/get/:/image 4-aminoazobenzene-4'-sulfonic acid(aq),,[],,,,,, acetanilide(aq),,[],,,,,, N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq),,[],,,,,, @@ -305,111 +305,111 @@ p-toluidine(aq),,[],,,,,images/rdkit/p-toluidine(aq).gif, 4'-nitroaniline(aq),,[],,,,,, "α,α,α-trifluoro-m-acetanilide(aq)",,[],,,,,, "α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", -choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/kegg:C00114/image -O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/kegg:C01996/image -L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/kegg:C02571/image +choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/:/image +O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/:/image +L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/:/image butyryl-CoA(aq),,[],,,,,images/rdkit/butyryl-CoA(aq).gif, L-butyrylcarnitine(aq),,[],,,,,, -propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C00100/image -L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/kegg:C03017/image -formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C00798/image -formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C02405/image -acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/kegg:C00033/image -orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/kegg:C00009/image -acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/kegg:C00332/image -palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/kegg:C00154/image -L-palmitoylcarnitine(aq),kegg:C02990,[],,,chebi:17490,pubchem:5899,,https://rest.kegg.jp/get/kegg:C02990/image -N-2-acetyl-L-ornithine(aq),kegg:C00437,[],,,chebi:16543,pubchem:3726,,https://rest.kegg.jp/get/kegg:C00437/image -N-acetyl-L-glutamate(aq),kegg:C00624,[],,,chebi:44337,pubchem:3897,,https://rest.kegg.jp/get/kegg:C00624/image -acyl-carrier protein(aq),kegg:C00229,[],,,chebi:18359,pubchem:3528,,https://rest.kegg.jp/get/kegg:C00229/image -acetyl-[acyl-carrier protein](aq),kegg:C03939,[],,,chebi:17093,pubchem:6663,,https://rest.kegg.jp/get/kegg:C03939/image -malonyl-CoA(aq),kegg:C00083,[],,,chebi:15531,pubchem:3383,,https://rest.kegg.jp/get/kegg:C00083/image -malonyl-[acyl-carrier protein](aq),kegg:C01209,[],,,chebi:17330,pubchem:4431,,https://rest.kegg.jp/get/kegg:C01209/image -sucrose(aq),kegg:C00089,[],,,chebi:17992,pubchem:3389,,https://rest.kegg.jp/get/kegg:C00089/image --D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/kegg:C00103/image -maltose(aq),kegg:C00208,[],,,chebi:17306,pubchem:3508,,https://rest.kegg.jp/get/kegg:C00208/image -D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/kegg:C00103/image +propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/:/image +formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/:/image +acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/:/image +orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image +acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/:/image +palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/:/image +L-palmitoylcarnitine(aq),kegg:C02990,[],,,chebi:17490,pubchem:5899,,https://rest.kegg.jp/get/:/image +N-2-acetyl-L-ornithine(aq),kegg:C00437,[],,,chebi:16543,pubchem:3726,,https://rest.kegg.jp/get/:/image +N-acetyl-L-glutamate(aq),kegg:C00624,[],,,chebi:44337,pubchem:3897,,https://rest.kegg.jp/get/:/image +acyl-carrier protein(aq),kegg:C00229,[],,,chebi:18359,pubchem:3528,,https://rest.kegg.jp/get/:/image +acetyl-[acyl-carrier protein](aq),kegg:C03939,[],,,chebi:17093,pubchem:6663,,https://rest.kegg.jp/get/:/image +malonyl-CoA(aq),kegg:C00083,[],,,chebi:15531,pubchem:3383,,https://rest.kegg.jp/get/:/image +malonyl-[acyl-carrier protein](aq),kegg:C01209,[],,,chebi:17330,pubchem:4431,,https://rest.kegg.jp/get/:/image +sucrose(aq),kegg:C00089,[],,,chebi:17992,pubchem:3389,,https://rest.kegg.jp/get/:/image +-D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/:/image +maltose(aq),kegg:C00208,[],,,chebi:17306,pubchem:3508,,https://rest.kegg.jp/get/:/image +D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/:/image "(2,6-beta-D-fructosyl)n(aq)",,[],,,,,, "(2,6-beta-D-fructosyl)n+1(aq)",,[],,,,,, -ADPglucose(aq),kegg:C00498,[],,,chebi:15751,pubchem:3781,,https://rest.kegg.jp/get/kegg:C00498/image -UDPglucose(aq),kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/kegg:C00029/image -UDP(aq),2 kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/kegg:C00015/image -sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https://rest.kegg.jp/get/kegg:C16688/image -UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/kegg:C00029/image -D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/kegg:C00092/image -UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/kegg:C00015/image -"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/kegg:C00689/image +ADPglucose(aq),kegg:C00498,[],,,chebi:15751,pubchem:3781,,https://rest.kegg.jp/get/:/image +UDPglucose(aq),kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/:/image +UDP(aq),2 kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/:/image +sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https://rest.kegg.jp/get/:/image +UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/:/image +D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image +UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/:/image +"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/:/image cycloheptaamylose(aq),,[],,,,,images/rdkit/cycloheptaamylose(aq).gif, cyclohexaamylose(aq),,[],,,,,images/rdkit/cyclohexaamylose(aq).gif, cyclooctaamylose(aq),,[],,,,,images/rdkit/cyclooctaamylose(aq).gif, -cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/kegg:C00185/image -cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/kegg:C06219/image -laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/kegg:C02048/image +cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/:/image +cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/:/image +laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/:/image laminaritetraose(aq),,[],,,,,, laminaritriose(aq),,[],,,,,, alpha-D-glucose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, -",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/kegg:C01083/image -1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/kegg:C01235/image -raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/kegg:C00492/image -myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/kegg:C00137/image -stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/kegg:C01613/image -sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/kegg:C00482/image -1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/kegg:C01175/image -adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/kegg:C00212/image -adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/kegg:C00147/image -D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00620/image -2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/kegg:C05512/image -hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/kegg:C00262/image -2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/kegg:C00672/image -guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/kegg:C00387/image -guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/kegg:C00242/image -inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/kegg:C00294/image +",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/:/image +1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/:/image +raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/:/image +myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/:/image +stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/:/image +sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/:/image +1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/:/image +adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/:/image +adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/:/image +D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/:/image +hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/:/image +2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/:/image +guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/:/image +guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/:/image +inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/:/image alpha-D-ribose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, -nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/kegg:C00153/image -nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/kegg:C03150/image -xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/kegg:C01762/image -xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/kegg:C00385/image -thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/kegg:C00178/image +nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/:/image +nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/:/image +xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/:/image +xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/:/image +thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/:/image 5-methyluridine(aq),,[],,,,,images/rdkit/5-methyluridine(aq).gif, alpha-D-ribose-1-phosphate,,[],,,,,images/rdkit/alpha-D-ribose-1-phosphate.gif, -uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/kegg:C00299/image -uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/kegg:C00106/image -thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/kegg:C00214/image -2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/kegg:C00559/image -5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/kegg:C00119/image -AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/kegg:C00020/image -pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00013/image +uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/:/image +uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/:/image +thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/:/image +2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/:/image +5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/:/image +AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/:/image +pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/:/image 5-amino-4-imidazolecarboxamide(aq),,[],,,,,images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, 5-phospho-alpha-D-ribose 1-dipihosphate(aq),,[],,,,,, 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq),,[],,,,,, -GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/kegg:C00144/image -IMP(aq),kegg:C00130,[],,,chebi:17202,pubchem:3430,,https://rest.kegg.jp/get/kegg:C00130/image -orotidine 5'-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/kegg:C01103/image +GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/:/image +IMP(aq),kegg:C00130,[],,,chebi:17202,pubchem:3430,,https://rest.kegg.jp/get/:/image +orotidine 5'-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/:/image thiopyrophosphate(aq),,[],,,,,, phosphoribosyl-1-O-(2-thiodiphosphate)(aq),,[],,,,,, thiamine(aq),,[],,,,,, 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq),,[],,,,,, heteroanilithiamine(aq),,[],,,,,, heteronicotinathiamine(aq),,[],,,,,, -2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq),kegg:C04752,[],,,chebi:16629,pubchem:7322,,https://rest.kegg.jp/get/kegg:C04752/image -4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq),kegg:C04327,[],,,chebi:17857,pubchem:6980,,https://rest.kegg.jp/get/kegg:C04327/image -thiamine monophosphate(aq),kegg:C01081,[],,,chebi:9533,pubchem:4319,,https://rest.kegg.jp/get/kegg:C01081/image -erythro-3-hydroxyaspartate(aq),kegg:C19838,[],,,,pubchem:135626305,,https://rest.kegg.jp/get/kegg:C19838/image -2-oxo-3-hydroxybutanedioic acid(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/kegg:C03459/image -L-histidinol phosphate(aq),kegg:C01100,[],,,chebi:16996,pubchem:4334,,https://rest.kegg.jp/get/kegg:C01100/image -3-(imidazol-4-yl)-2-oxopropyl phosphate(aq),kegg:C01267,[],,,chebi:16426,pubchem:4486,,https://rest.kegg.jp/get/kegg:C01267/image -DL-D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/kegg:C03912/image -L-glutamine(aq),kegg:C00064,[],,,chebi:18050,pubchem:3364,,https://rest.kegg.jp/get/kegg:C00064/image -2-oxoglutaramate(aq),kegg:C00940,[],,,chebi:16769,pubchem:4192,,https://rest.kegg.jp/get/kegg:C00940/image +2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq),kegg:C04752,[],,,chebi:16629,pubchem:7322,,https://rest.kegg.jp/get/:/image +4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq),kegg:C04327,[],,,chebi:17857,pubchem:6980,,https://rest.kegg.jp/get/:/image +thiamine monophosphate(aq),kegg:C01081,[],,,chebi:9533,pubchem:4319,,https://rest.kegg.jp/get/:/image +erythro-3-hydroxyaspartate(aq),kegg:C19838,[],,,,pubchem:135626305,,https://rest.kegg.jp/get/:/image +2-oxo-3-hydroxybutanedioic acid(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/:/image +L-histidinol phosphate(aq),kegg:C01100,[],,,chebi:16996,pubchem:4334,,https://rest.kegg.jp/get/:/image +3-(imidazol-4-yl)-2-oxopropyl phosphate(aq),kegg:C01267,[],,,chebi:16426,pubchem:4486,,https://rest.kegg.jp/get/:/image +DL-D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/:/image +L-glutamine(aq),kegg:C00064,[],,,chebi:18050,pubchem:3364,,https://rest.kegg.jp/get/:/image +2-oxoglutaramate(aq),kegg:C00940,[],,,chebi:16769,pubchem:4192,,https://rest.kegg.jp/get/:/image 2-oxo-4-methiolbutyrate(aq),,[],,,,,, -N-succinyl-2-L-amino-6-oxoheptanedioate(aq),kegg:C04462,[],,,chebi:15685,pubchem:7087,,https://rest.kegg.jp/get/kegg:C04462/image -"N-succinyl-L-2,6-diaminoheptanedioate(aq)",kegg:C04421,[],,,chebi:17279,pubchem:7053,,https://rest.kegg.jp/get/kegg:C04421/image -L-alanine,kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,,https://rest.kegg.jp/get/kegg:C00041/image -3-oxopropanoate,kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,,https://rest.kegg.jp/get/kegg:C00222/image -beta-alanine,kegg:C00099,[],,,chebi:16958,pubchem:3399,,https://rest.kegg.jp/get/kegg:C00099/image -pyruvate,kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/kegg:C00022/image -4-aminobutanoate(aq),kegg:C00334,[],,,chebi:30566,pubchem:3628,,https://rest.kegg.jp/get/kegg:C00334/image -D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/get/kegg:C00217/image +N-succinyl-2-L-amino-6-oxoheptanedioate(aq),kegg:C04462,[],,,chebi:15685,pubchem:7087,,https://rest.kegg.jp/get/:/image +"N-succinyl-L-2,6-diaminoheptanedioate(aq)",kegg:C04421,[],,,chebi:17279,pubchem:7053,,https://rest.kegg.jp/get/:/image +L-alanine,kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,,https://rest.kegg.jp/get/:/image +3-oxopropanoate,kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,,https://rest.kegg.jp/get/:/image +beta-alanine,kegg:C00099,[],,,chebi:16958,pubchem:3399,,https://rest.kegg.jp/get/:/image +pyruvate,kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/:/image +4-aminobutanoate(aq),kegg:C00334,[],,,chebi:30566,pubchem:3628,,https://rest.kegg.jp/get/:/image +D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/get/:/image 5-deoxypyridoxamine(aq),,[],,,,,, 5-deoxypyridoxal(aq),,[],,,,,, 3-hydroxy-4-aminomethylpyridine(aq),,[],,,,,, @@ -418,102 +418,102 @@ D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/ ω-methylpyridoxal(aq),,[],,,,,, norpyridoxamine(aq),,[],,,,,, norpyridoxal(aq),,[],,,,,, -pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/kegg:C00534/image -pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/kegg:C00250/image -"dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/kegg:C04268/image -dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/kegg:C11907/image -L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/kegg:C00956/image -2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/kegg:C00322/image -3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C03232/image -O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/kegg:C01005/image +pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/:/image +pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/:/image +"dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/:/image +dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/:/image +L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/:/image +2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/:/image +3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image +O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/:/image 6-amino-D-glucose(aq),,[],,,,,images/rdkit/6-amino-D-glucose(aq).gif, 6-amino-D-glucose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, -D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/kegg:C00159/image -D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00275/image -D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C03384/image -"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/kegg:C00354/image -3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C00882/image +D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/:/image +D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/:/image +3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/:/image lysozyme(aq),,[],,,,,, phospholysozyme(aq),,[],,,,,, phosvitin(aq),,[],,,,,, dephosvitin(aq),,[],,,,,, pyruvate kinase(aq),,[],,,,,, phosphoenolpyruvate kinase(aq),,[],,,,,, -phosphoenolpyruvate(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/kegg:C00074/image -1-phosphatidyl-1D-myo-inositol(aq),kegg:C01194,[],,,chebi:16749,pubchem:4419,,https://rest.kegg.jp/get/kegg:C01194/image -1-phosphatidyl-1D-myo-inositol 4-phosphate(aq),kegg:C01277,[],,,chebi:17526,pubchem:4496,,https://rest.kegg.jp/get/kegg:C01277/image +phosphoenolpyruvate(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/:/image +1-phosphatidyl-1D-myo-inositol(aq),kegg:C01194,[],,,chebi:16749,pubchem:4419,,https://rest.kegg.jp/get/:/image +1-phosphatidyl-1D-myo-inositol 4-phosphate(aq),kegg:C01277,[],,,chebi:17526,pubchem:4496,,https://rest.kegg.jp/get/:/image ADP (aq),,[],,,,,, -ammonium carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,,https://rest.kegg.jp/get/kegg:C01563/image +ammonium carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,,https://rest.kegg.jp/get/:/image ATP-beta-S(aq),,[],,,,,, ADP-beta-S(aq),,[],,,,,, -4-phospho-L-aspartate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/kegg:C03082/image -phosphoguanidinoacetate(aq),kegg:C03166,[],,,chebi:16034,pubchem:6049,,https://rest.kegg.jp/get/kegg:C03166/image -creatine(aq),kegg:C00300,[],,,chebi:16919,pubchem:3594,,https://rest.kegg.jp/get/kegg:C00300/image -phosphocreatine(aq),kegg:C02305,[],,,chebi:17287,pubchem:5359,,https://rest.kegg.jp/get/kegg:C02305/image +4-phospho-L-aspartate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/:/image +phosphoguanidinoacetate(aq),kegg:C03166,[],,,chebi:16034,pubchem:6049,,https://rest.kegg.jp/get/:/image +creatine(aq),kegg:C00300,[],,,chebi:16919,pubchem:3594,,https://rest.kegg.jp/get/:/image +phosphocreatine(aq),kegg:C02305,[],,,chebi:17287,pubchem:5359,,https://rest.kegg.jp/get/:/image cyclocreatine(aq),,[],,,,,, phosphocyclocreatine(aq),,[],,,,,, "adenosine 5'-(alpha, beta-methylene)triphosphate(aq)",,[],,,,,, "adenosine 5'-(alpha, beta-methylene)diphosphate(aq)",,[],,,,,, -N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/kegg:C05945/image +N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/:/image N-omega-phospho-L-arginine(aq),,[],,,,,, -taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/kegg:C01959/image -N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/kegg:C03149/image -lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/kegg:C14177/image -N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/kegg:C14178/image -(R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/kegg:C01107/image -(R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/kegg:C01143/image +taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/:/image +N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/:/image +lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/:/image +N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/:/image +(R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/:/image +(R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/:/image ATP-alpha-S(aq),,[],,,,,, ADP-alpha-S(aq),,[],,,,,, ATP-gemma-S(aq),,[],,,,,, ADP-gamma-S(aq),,[],,,,,, ADP-N1-oxide(aq),,[],,,,,, ATP-N1-oxide(aq),,[],,,,,, -dADP(aq),2 kegg:C00206,[],,,chebi:16174,pubchem:3506,,https://rest.kegg.jp/get/kegg:C00206/image -dAMP(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/kegg:C00360/image -dATP(aq),kegg:C00131,[],,,chebi:16284,pubchem:3431,,https://rest.kegg.jp/get/kegg:C00131/image -adenosine 5'-tetraphosphate(aq),kegg:C03483,[],,,chebi:18334,pubchem:6295,,https://rest.kegg.jp/get/kegg:C03483/image -UTP(aq),kegg:C00075,[],,,chebi:15713,pubchem:3375,,https://rest.kegg.jp/get/kegg:C00075/image -UMP(aq),kegg:C00105,[],,,chebi:16695,pubchem:3405,,https://rest.kegg.jp/get/kegg:C00105/image -inosine 5'-diphosphate(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,,https://rest.kegg.jp/get/kegg:C00104/image -inosine 5'-triphosphate(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/kegg:C00081/image -GDP(aq),kegg:C00035,[],,,chebi:17552,pubchem:3337,,https://rest.kegg.jp/get/kegg:C00035/image -GTP(aq),kegg:C00044,[],,,chebi:15996,pubchem:3346,,https://rest.kegg.jp/get/kegg:C00044/image -dGMP(aq),kegg:C00362,[],,,chebi:16192,pubchem:3653,,https://rest.kegg.jp/get/kegg:C00362/image -dGDP(aq),kegg:C00361,[],,,chebi:28862,pubchem:3652,,https://rest.kegg.jp/get/kegg:C00361/image -dTDP(aq),kegg:C00363,[],,,chebi:18075,pubchem:3654,,https://rest.kegg.jp/get/kegg:C00363/image -CMP(aq),kegg:C00055,[],,,chebi:17361,pubchem:3357,,https://rest.kegg.jp/get/kegg:C00055/image -CDP(aq),kegg:C00112,[],,,chebi:17239,pubchem:3412,,https://rest.kegg.jp/get/kegg:C00112/image -dCMP(aq),kegg:C00239,[],,,chebi:15918,pubchem:3538,,https://rest.kegg.jp/get/kegg:C00239/image -dCDP(aq),kegg:C00705,[],,,chebi:28846,pubchem:3972,,https://rest.kegg.jp/get/kegg:C00705/image -ATP,kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/kegg:C00002/image -beta-Nicotinamide mononucleotide,kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/kegg:C00455/image -pyrophosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,,https://rest.kegg.jp/get/kegg:C00013/image +dADP(aq),2 kegg:C00206,[],,,chebi:16174,pubchem:3506,,https://rest.kegg.jp/get/:/image +dAMP(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/:/image +dATP(aq),kegg:C00131,[],,,chebi:16284,pubchem:3431,,https://rest.kegg.jp/get/:/image +adenosine 5'-tetraphosphate(aq),kegg:C03483,[],,,chebi:18334,pubchem:6295,,https://rest.kegg.jp/get/:/image +UTP(aq),kegg:C00075,[],,,chebi:15713,pubchem:3375,,https://rest.kegg.jp/get/:/image +UMP(aq),kegg:C00105,[],,,chebi:16695,pubchem:3405,,https://rest.kegg.jp/get/:/image +inosine 5'-diphosphate(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,,https://rest.kegg.jp/get/:/image +inosine 5'-triphosphate(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/:/image +GDP(aq),kegg:C00035,[],,,chebi:17552,pubchem:3337,,https://rest.kegg.jp/get/:/image +GTP(aq),kegg:C00044,[],,,chebi:15996,pubchem:3346,,https://rest.kegg.jp/get/:/image +dGMP(aq),kegg:C00362,[],,,chebi:16192,pubchem:3653,,https://rest.kegg.jp/get/:/image +dGDP(aq),kegg:C00361,[],,,chebi:28862,pubchem:3652,,https://rest.kegg.jp/get/:/image +dTDP(aq),kegg:C00363,[],,,chebi:18075,pubchem:3654,,https://rest.kegg.jp/get/:/image +CMP(aq),kegg:C00055,[],,,chebi:17361,pubchem:3357,,https://rest.kegg.jp/get/:/image +CDP(aq),kegg:C00112,[],,,chebi:17239,pubchem:3412,,https://rest.kegg.jp/get/:/image +dCMP(aq),kegg:C00239,[],,,chebi:15918,pubchem:3538,,https://rest.kegg.jp/get/:/image +dCDP(aq),kegg:C00705,[],,,chebi:28846,pubchem:3972,,https://rest.kegg.jp/get/:/image +ATP,kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image +beta-Nicotinamide mononucleotide,kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/:/image +pyrophosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,,https://rest.kegg.jp/get/:/image beta-Nicotinamide mononucleotide(aq),,[],,,,,, -sulfate(aq),kegg:C00059,[],,,chebi:16189,pubchem:3359,,https://rest.kegg.jp/get/kegg:C00059/image -adenosine 5'-phosphosulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/kegg:C00224/image -dTTP(aq),kegg:C00459,[],,,chebi:18077,pubchem:3743,,https://rest.kegg.jp/get/kegg:C00459/image +sulfate(aq),kegg:C00059,[],,,chebi:16189,pubchem:3359,,https://rest.kegg.jp/get/:/image +adenosine 5'-phosphosulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/:/image +dTTP(aq),kegg:C00459,[],,,chebi:18077,pubchem:3743,,https://rest.kegg.jp/get/:/image 9/20-DNA-oligomer(aq),,[],,,,,, 10/20-DNA-oligomer(aq),,[],,,,,, -UDPgalactose(aq),kegg:C00052,[],,,chebi:18307,pubchem:3354,,https://rest.kegg.jp/get/kegg:C00052/image --D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,,https://rest.kegg.jp/get/kegg:C03384/image -D-mannose 1-phosphate(aq),kegg:C00636,[],,,chebi:35374,pubchem:3909,,https://rest.kegg.jp/get/kegg:C00636/image -GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/get/kegg:C00096/image -CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/kegg:C00063/image -O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/kegg:C00346/image -CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/kegg:C00570/image -phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/kegg:C00588/image -CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/kegg:C00307/image -N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C04256/image -UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/kegg:C00043/image -dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/kegg:C00842/image -CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/kegg:C00501/image -GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/kegg:C00394/image -[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01281,[],,,,pubchem:4500,,https://rest.kegg.jp/get/kegg:C01281/image -adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01299,[],,,,pubchem:4517,,https://rest.kegg.jp/get/kegg:C01299/image -1-phospho--D-glucuronate(aq),kegg:C05385,[],,,chebi:28547,pubchem:7759,,https://rest.kegg.jp/get/kegg:C05385/image -UDP-D-glucuronate(aq),kegg:C00167,[],,,chebi:17200,pubchem:3467,,https://rest.kegg.jp/get/kegg:C00167/image -succinyl-CoA(aq),kegg:C00091,[],,,chebi:15380,pubchem:3391,,https://rest.kegg.jp/get/kegg:C00091/image -acetoacetate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/kegg:C00164/image +UDPgalactose(aq),kegg:C00052,[],,,chebi:18307,pubchem:3354,,https://rest.kegg.jp/get/:/image +-D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,,https://rest.kegg.jp/get/:/image +D-mannose 1-phosphate(aq),kegg:C00636,[],,,chebi:35374,pubchem:3909,,https://rest.kegg.jp/get/:/image +GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/get/:/image +CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/:/image +O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/:/image +CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/:/image +phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/:/image +CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/:/image +N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/:/image +dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/:/image +CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/:/image +GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/:/image +[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01281,[],,,,pubchem:4500,,https://rest.kegg.jp/get/:/image +adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01299,[],,,,pubchem:4517,,https://rest.kegg.jp/get/:/image +1-phospho--D-glucuronate(aq),kegg:C05385,[],,,chebi:28547,pubchem:7759,,https://rest.kegg.jp/get/:/image +UDP-D-glucuronate(aq),kegg:C00167,[],,,chebi:17200,pubchem:3467,,https://rest.kegg.jp/get/:/image +succinyl-CoA(aq),kegg:C00091,[],,,chebi:15380,pubchem:3391,,https://rest.kegg.jp/get/:/image +acetoacetate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/:/image n-decanoic acid glycerol qiester(sln),,[],,,,,, H2O(sln),,[],,,,,, n-decanoic acid(sln),,[],,,,,, @@ -526,282 +526,282 @@ n-octanoic add(sln),,[],,,,,, n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln),,[],,,,,, n-octanoic acid glycerol monoester(sln),,[],,,,,, n-octanoic acid(sln),,[],,,,,, -acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,,https://rest.kegg.jp/get/kegg:C01996/image -retinyl palmitate(aq),kegg:C02588,[],,,chebi:17616,pubchem:5580,,https://rest.kegg.jp/get/kegg:C02588/image -retinol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,,https://rest.kegg.jp/get/kegg:C00473/image -palmitate(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/kegg:C00249/image -acetyl phosphate-2-(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/kegg:C00227/image -acetate-(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,,https://rest.kegg.jp/get/kegg:C00033/image -HPO4-2-(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/kegg:C00009/image -ADP-3-(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/kegg:C00008/image -AMP-2--(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,,https://rest.kegg.jp/get/kegg:C00020/image -D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://rest.kegg.jp/get/kegg:C01094/image -D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/kegg:C01113/image -4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/kegg:C03360/image -4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/kegg:C00870/image -phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C02734/image -phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/kegg:C00146/image -(R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/kegg:C00197/image -phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/kegg:C00074/image -pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/kegg:C00022/image -L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/kegg:C01005/image -phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/kegg:C03149/image -D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/kegg:C00121/image +acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,,https://rest.kegg.jp/get/:/image +retinyl palmitate(aq),kegg:C02588,[],,,chebi:17616,pubchem:5580,,https://rest.kegg.jp/get/:/image +retinol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,,https://rest.kegg.jp/get/:/image +palmitate(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/:/image +acetyl phosphate-2-(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/:/image +acetate-(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,,https://rest.kegg.jp/get/:/image +HPO4-2-(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image +ADP-3-(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/:/image +AMP-2--(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,,https://rest.kegg.jp/get/:/image +D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://rest.kegg.jp/get/:/image +D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/:/image +4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/:/image +4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/:/image +phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/:/image +phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/:/image +(R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/:/image +phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/:/image +pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/:/image +L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/:/image +phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/:/image +D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/:/image L-alpha-glycerophosphate(aq),,[],,,,,, -adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/kegg:C00575/image -2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/kegg:C00968/image -2'-deoxyadenosine 5'-monophosphate(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/kegg:C00360/image -guanosine 3':5'-(cyclic)phosphate(aq),kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/kegg:C00942/image -inosine 3':5'-(cyclic)phosphate(aq),kegg:C00943,[],,,chebi:27541,pubchem:4195,,https://rest.kegg.jp/get/kegg:C00943/image +adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/:/image +2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/:/image +2'-deoxyadenosine 5'-monophosphate(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/:/image +guanosine 3':5'-(cyclic)phosphate(aq),kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/:/image +inosine 3':5'-(cyclic)phosphate(aq),kegg:C00943,[],,,chebi:27541,pubchem:4195,,https://rest.kegg.jp/get/:/image uridine 3':5'-(cyclic)phosphate(aq),,[],,,,,, -adenosine 3'-monophosphate(aq),kegg:C01367,[],,,chebi:28931,pubchem:4566,,https://rest.kegg.jp/get/kegg:C01367/image -maltotetraose(aq),kegg:C02052,[],,,chebi:28460,pubchem:5141,,https://rest.kegg.jp/get/kegg:C02052/image -isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/kegg:C00252/image -isomaltotriose(aq),kegg:C02160,[],,,chebi:27649,pubchem:5236,,https://rest.kegg.jp/get/kegg:C02160/image -maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp/get/kegg:C01936/image -maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/kegg:C01835/image -panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/kegg:C00713/image -palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/kegg:C01742/image -D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/kegg:C19636/image --gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/kegg:C08240/image --D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/kegg:C05402/image -lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/kegg:C07064/image -ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/kegg:C01882/image -L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/kegg:C00152/image +adenosine 3'-monophosphate(aq),kegg:C01367,[],,,chebi:28931,pubchem:4566,,https://rest.kegg.jp/get/:/image +maltotetraose(aq),kegg:C02052,[],,,chebi:28460,pubchem:5141,,https://rest.kegg.jp/get/:/image +isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/:/image +isomaltotriose(aq),kegg:C02160,[],,,chebi:27649,pubchem:5236,,https://rest.kegg.jp/get/:/image +maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp/get/:/image +maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/:/image +panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/:/image +palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/:/image +D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/:/image +-gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/:/image +-D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/:/image +lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/:/image +ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/:/image +L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/:/image γ-glutamohydroxamic acid(aq),,[],,,,,, hydroxylamine(aq),,[],,,,,images/rdkit/hydroxylamine(aq).gif, -carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/kegg:C01563/image -urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/kegg:C00086/image -cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/kegg:C07761/image -2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/kegg:C02595/image -7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/kegg:C07756/image -penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/kegg:C05551/image -6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/kegg:C02954/image -phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/kegg:C07086/image -penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/kegg:C05551/image -6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/kegg:C02954/image -phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/kegg:C08126/image -6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/kegg:C02954/image -phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/kegg:C02181/image -phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/kegg:C05598/image -N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/kegg:C02712/image -pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/kegg:C00864/image -H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,images/rdkit/H2O.gif,https://rest.kegg.jp/get/kegg:C00001/image -pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/kegg:C00522/image -N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/kegg:C00438/image -L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/kegg:C03703/image +carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/:/image +urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/:/image +cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/:/image +2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/:/image +7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/:/image +penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/:/image +6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/:/image +phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/:/image +penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/:/image +6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/:/image +phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/:/image +6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/:/image +phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/:/image +phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/:/image +N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/:/image +pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/:/image +H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,images/rdkit/H2O.gif,https://rest.kegg.jp/get/:/image +pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/:/image +N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/:/image +L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/:/image ampicillin(aq),,[],,,,,images/rdkit/ampicillin(aq).gif, ampicillinoic acid(aq),,[],,,,,, -penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/kegg:C06567/image +penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/:/image phenoxymethylpenicillin(aq),,[],,,,,, phenoxymethylpenicillinoic acid(aq),,[],,,,,, -allantoate(aq),kegg:C00499,[],,,chebi:17536,pubchem:3782,,https://rest.kegg.jp/get/kegg:C00499/image -(-)-ureidoglycolate(aq),kegg:C00603,[],,,chebi:15412,pubchem:3878,,https://rest.kegg.jp/get/kegg:C00603/image -cytidine(aq),kegg:C00475,[],,,chebi:17562,pubchem:3758,,https://rest.kegg.jp/get/kegg:C00475/image -10-formyltetrahydrofolate(aq),kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/kegg:C00234/image -adenylyl sulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/kegg:C00224/image -trimetaphosphate(aq),kegg:C02466,[],,,chebi:16517,pubchem:5482,,https://rest.kegg.jp/get/kegg:C02466/image -triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp/get/kegg:C00536/image --nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/kegg:C00455/image -ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/kegg:C00002/image -ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/kegg:C00081/image -IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/kegg:C00104/image -diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00013/image -phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00009/image -"D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/kegg:C01182/image -erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C03394/image -glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00111/image -2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00673/image +allantoate(aq),kegg:C00499,[],,,chebi:17536,pubchem:3782,,https://rest.kegg.jp/get/:/image +(-)-ureidoglycolate(aq),kegg:C00603,[],,,chebi:15412,pubchem:3878,,https://rest.kegg.jp/get/:/image +cytidine(aq),kegg:C00475,[],,,chebi:17562,pubchem:3758,,https://rest.kegg.jp/get/:/image +10-formyltetrahydrofolate(aq),kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/:/image +adenylyl sulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/:/image +trimetaphosphate(aq),kegg:C02466,[],,,chebi:16517,pubchem:5482,,https://rest.kegg.jp/get/:/image +triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp/get/:/image +-nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/:/image +ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image +ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/:/image +IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/:/image +diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/:/image +phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/:/image +"D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/:/image +erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/:/image +2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/:/image "5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", propionaldehyde(aq),,[],,,,,images/rdkit/propionaldehyde(aq).gif, methylerythrulose 1-phosphate(aq),,[],,,,,, glycerone phosphate (aq),,[],,,,,images/rdkit/glycerone phosphate (aq).gif, -6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/kegg:C04442/image -L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C01099/image -(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/kegg:C00424/image -2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/kegg:C06159/image -2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/kegg:C00684/image -L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C01131/image -2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C01286/image -D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C06019/image -N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/kegg:C00270/image -N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/kegg:C00645/image -4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/kegg:C01127/image -(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/kegg:C02614/image -"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/kegg:C04348/image -"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/kegg:C03652/image -propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/kegg:C00163/image -L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/kegg:C00078/image -indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/kegg:C00463/image -cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/kegg:C00417/image -3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/kegg:C00944/image -2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/kegg:C00631/image -(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C03561/image -cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C00877/image -(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C01144/image -trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C00877/image +6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/:/image +L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/:/image +2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/:/image +2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/:/image +L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/:/image +N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/:/image +4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/:/image +(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/:/image +"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/:/image +"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/:/image +propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/:/image +L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/:/image +indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/:/image +cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/:/image +3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/:/image +2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/:/image +(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image (3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, cis-hex-2-enoyl-CoA(aq),,[],,,,,images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, -(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C05268/image -trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/kegg:C05271/image -1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C03506/image -(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/kegg:C00497/image -maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/kegg:C01384/image -2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/kegg:C01732/image -(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/kegg:C02612/image -2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/kegg:C02226/image +(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/:/image +maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/:/image +2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/:/image +(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/:/image +2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/:/image gamma-fluoroglutamate(aq),,[],,,,,images/rdkit/gamma-fluoroglutamate(aq).gif, cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, -5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/kegg:C02237/image -urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/kegg:C00785/image -"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/kegg:C03680/image -cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/kegg:C04246/image -"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/kegg:C03652/image -dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/kegg:C00922/image -DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/kegg:C01144/image -L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/kegg:C03618/image -L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/kegg:C00135/image -L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/kegg:C00079/image -trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/kegg:C00423/image +5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/:/image +urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/:/image +"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/:/image +cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/:/image +"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/:/image +dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/:/image +DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image +L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/:/image +L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/:/image +L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/:/image +trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/:/image beta-alanylpantetheine(aq),,[],,,,,, acrylylpantetheine(aq),,[],,,,,, -N-(L-argino)succinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/kegg:C03406/image -adenylosuccinate(aq),kegg:C03794,[],,,chebi:15919,pubchem:6543,,https://rest.kegg.jp/get/kegg:C03794/image -1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole,kegg:C04823,[],,,chebi:18319,pubchem:7384,,https://rest.kegg.jp/get/kegg:C04823/image -Fumarate,kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/kegg:C00122/image -1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide,kegg:C04677,[],,,chebi:18406,pubchem:7258,,https://rest.kegg.jp/get/kegg:C04677/image -(R)-S-lactoylglutathione(aq),kegg:C03451,[],,,chebi:15694,pubchem:6272,,https://rest.kegg.jp/get/kegg:C03451/image -glutathione (reduced)(aq),kegg:C00051,[],,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/kegg:C00051/image -methylglyoxal(aq),kegg:C00546,[],,,chebi:17158,pubchem:3827,,https://rest.kegg.jp/get/kegg:C00546/image -L-lysine(aq),kegg:C00047,[],,,chebi:18019,pubchem:3349,,https://rest.kegg.jp/get/kegg:C00047/image -D-lysine(aq),kegg:C00739,[],,,chebi:16855,pubchem:4002,,https://rest.kegg.jp/get/kegg:C00739/image -"L,L-2,6-diaminoheptanedioate(aq)",kegg:C00666,[],,,chebi:47031,pubchem:3935,,https://rest.kegg.jp/get/kegg:C00666/image -meso-diaminoheptanedioate(aq),kegg:C00680,[],,,chebi:30308,pubchem:3949,,https://rest.kegg.jp/get/kegg:C00680/image -trans-4-hydroxy-L-proline(aq),kegg:C01157,[],,,chebi:18095,pubchem:4385,,https://rest.kegg.jp/get/kegg:C01157/image -cis-4-hydroxy-D-proline(aq),kegg:C03440,[],,,chebi:16231,pubchem:6264,,https://rest.kegg.jp/get/kegg:C03440/image -D-leucine(aq),kegg:C01570,[],,,chebi:28225,pubchem:4727,,https://rest.kegg.jp/get/kegg:C01570/image +N-(L-argino)succinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/:/image +adenylosuccinate(aq),kegg:C03794,[],,,chebi:15919,pubchem:6543,,https://rest.kegg.jp/get/:/image +1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole,kegg:C04823,[],,,chebi:18319,pubchem:7384,,https://rest.kegg.jp/get/:/image +Fumarate,kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/:/image +1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide,kegg:C04677,[],,,chebi:18406,pubchem:7258,,https://rest.kegg.jp/get/:/image +(R)-S-lactoylglutathione(aq),kegg:C03451,[],,,chebi:15694,pubchem:6272,,https://rest.kegg.jp/get/:/image +glutathione (reduced)(aq),kegg:C00051,[],,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image +methylglyoxal(aq),kegg:C00546,[],,,chebi:17158,pubchem:3827,,https://rest.kegg.jp/get/:/image +L-lysine(aq),kegg:C00047,[],,,chebi:18019,pubchem:3349,,https://rest.kegg.jp/get/:/image +D-lysine(aq),kegg:C00739,[],,,chebi:16855,pubchem:4002,,https://rest.kegg.jp/get/:/image +"L,L-2,6-diaminoheptanedioate(aq)",kegg:C00666,[],,,chebi:47031,pubchem:3935,,https://rest.kegg.jp/get/:/image +meso-diaminoheptanedioate(aq),kegg:C00680,[],,,chebi:30308,pubchem:3949,,https://rest.kegg.jp/get/:/image +trans-4-hydroxy-L-proline(aq),kegg:C01157,[],,,chebi:18095,pubchem:4385,,https://rest.kegg.jp/get/:/image +cis-4-hydroxy-D-proline(aq),kegg:C03440,[],,,chebi:16231,pubchem:6264,,https://rest.kegg.jp/get/:/image +D-leucine(aq),kegg:C01570,[],,,chebi:28225,pubchem:4727,,https://rest.kegg.jp/get/:/image L-alpha-amino-n-butyrate(aq),,[],,,,,, D-alpha-amino-n-butyrate(aq),,[],,,,,, UDP-D-quinovose(aq),,[],,,,,, UDP-D-fucose(aq),,[],,,,,, -L-ribulose 5-phosphate(aq),kegg:C01101,[],,,chebi:17666,pubchem:4335,,https://rest.kegg.jp/get/kegg:C01101/image -UDP-L-arabinose(aq),kegg:C00935,[],,,chebi:17983,pubchem:4187,,https://rest.kegg.jp/get/kegg:C00935/image -UDP-D-xylose(aq),kegg:C00190,[],,,chebi:16082,pubchem:3490,,https://rest.kegg.jp/get/kegg:C00190/image -UDP-D-galacturonate(aq),kegg:C00617,[],,,chebi:16085,pubchem:3891,,https://rest.kegg.jp/get/kegg:C00617/image -N-acetyl-D-glucosamine(aq),kegg:C00140,[],,,chebi:506227,pubchem:3440,,https://rest.kegg.jp/get/kegg:C00140/image -N-acetyl-D-glucosamine 6-phosphate(aq),kegg:C00357,[],,,chebi:15784,pubchem:3650,,https://rest.kegg.jp/get/kegg:C00357/image -N-acetyl-D-mannosamine 6-phosphate(aq),kegg:C04257,[],,,chebi:62168,pubchem:6922,,https://rest.kegg.jp/get/kegg:C04257/image -"CDP-3,6-dideoxy-D-glucose(aq)",kegg:C03598,[],,,chebi:70802,pubchem:6389,,https://rest.kegg.jp/get/kegg:C03598/image -"CDP-3,6-dideoxy-D-mannose(aq)",kegg:C03599,[],,,chebi:88237,pubchem:6390,,https://rest.kegg.jp/get/kegg:C03599/image -alpha-D-Glucose 6-phosphate(aq),kegg:C00668,[],,,chebi:17665,pubchem:3937,,https://rest.kegg.jp/get/kegg:C00668/image -beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https://rest.kegg.jp/get/kegg:C01172/image -GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/kegg:C02280/image -(R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/kegg:C01213/image -(S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/kegg:C00683/image -all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/kegg:C00376/image -11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/kegg:C02110/image -"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/kegg:C01595/image -"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/kegg:C04056/image -D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/kegg:C01796/image -D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/kegg:C02022/image -D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/kegg:C00216/image -L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/kegg:C01019/image -L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/kegg:C01721/image -L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/kegg:C00259/image -L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/kegg:C00508/image --D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/kegg:C01487/image -D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/kegg:C06464/image -D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/kegg:C00476/image +L-ribulose 5-phosphate(aq),kegg:C01101,[],,,chebi:17666,pubchem:4335,,https://rest.kegg.jp/get/:/image +UDP-L-arabinose(aq),kegg:C00935,[],,,chebi:17983,pubchem:4187,,https://rest.kegg.jp/get/:/image +UDP-D-xylose(aq),kegg:C00190,[],,,chebi:16082,pubchem:3490,,https://rest.kegg.jp/get/:/image +UDP-D-galacturonate(aq),kegg:C00617,[],,,chebi:16085,pubchem:3891,,https://rest.kegg.jp/get/:/image +N-acetyl-D-glucosamine(aq),kegg:C00140,[],,,chebi:506227,pubchem:3440,,https://rest.kegg.jp/get/:/image +N-acetyl-D-glucosamine 6-phosphate(aq),kegg:C00357,[],,,chebi:15784,pubchem:3650,,https://rest.kegg.jp/get/:/image +N-acetyl-D-mannosamine 6-phosphate(aq),kegg:C04257,[],,,chebi:62168,pubchem:6922,,https://rest.kegg.jp/get/:/image +"CDP-3,6-dideoxy-D-glucose(aq)",kegg:C03598,[],,,chebi:70802,pubchem:6389,,https://rest.kegg.jp/get/:/image +"CDP-3,6-dideoxy-D-mannose(aq)",kegg:C03599,[],,,chebi:88237,pubchem:6390,,https://rest.kegg.jp/get/:/image +alpha-D-Glucose 6-phosphate(aq),kegg:C00668,[],,,chebi:17665,pubchem:3937,,https://rest.kegg.jp/get/:/image +beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https://rest.kegg.jp/get/:/image +GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/:/image +(R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/:/image +(S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/:/image +all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/:/image +11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/:/image +"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/:/image +"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/:/image +D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/:/image +D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/:/image +D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/:/image +L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/:/image +L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/:/image +L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/:/image +L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/:/image +-D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/:/image +D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/:/image +D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/:/image D-rhamnose(aq),,[],,,,,images/rdkit/D-rhamnose(aq).gif, D-rhamnulose(aq),,[],,,,,images/rdkit/D-rhamnulose(aq).gif, 6-amino-D-fructose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, -D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00352/image -D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/kegg:C00333/image -D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/kegg:C00558/image -D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/kegg:C00191/image -D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/kegg:C00905/image -D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C01112/image -L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/kegg:C00507/image -L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/kegg:C00861/image +D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/:/image +D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/:/image +D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/:/image +D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/:/image +D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/:/image +L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/:/image L-mannose(aq),,[],,,,,images/rdkit/L-mannose(aq).gif, L-fructose(aq),,[],,,,,images/rdkit/L-fructose(aq).gif, -keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C00166/image -enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C02763/image -keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/kegg:C00036/image -enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/kegg:C03981/image -isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00129/image -dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/kegg:C00235/image -methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/kegg:C02295/image -D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C06156/image -"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/kegg:C01231/image --D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/kegg:C00092/image +keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/:/image +enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/:/image +keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/:/image +enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/:/image +isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/:/image +dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/:/image +methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/:/image +D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/:/image +-D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image 6-thioglucose 6-phosphate(aq),,[],,,,,, 6-thioglucose I-phosphate(aq),,[],,,,,, -N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/kegg:C04256/image -"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/kegg:C01142/image -D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/kegg:C00515/image -"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/kegg:C03943/image -2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/kegg:C02930/image -"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/kegg:C04105/image -cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/kegg:C02480/image -tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/kegg:C03178/image -xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/kegg:C03314/image -L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,images/rdkit/L-valine.gif,https://rest.kegg.jp/get/kegg:C00183/image +N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/:/image +D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/:/image +"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/:/image +2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/:/image +"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/:/image +cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/:/image +tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/:/image +xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/:/image +L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,images/rdkit/L-valine.gif,https://rest.kegg.jp/get/:/image tRNA(Val),kegg:C01653,[],,,chebi:29183,pubchem:4802,, -AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP.gif,https://rest.kegg.jp/get/kegg:C00020/image -diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/kegg:C00013/image -L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/kegg:C02554/image -propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/kegg:C00100/image -L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/kegg:C03406/image -D-arabitol(aq),kegg:C01904,[],,,chebi:18333,pubchem:5013,,https://rest.kegg.jp/get/kegg:C01904/image -D-carnitine(aq),kegg:C15025,[],,,chebi:11060,pubchem:17396022,,https://rest.kegg.jp/get/kegg:C15025/image -prostaglandin E2(aq),kegg:C00584,[],,,chebi:15551,pubchem:3863,,https://rest.kegg.jp/get/kegg:C00584/image -15-oxo-prostaglandin E2(aq),kegg:C04707,[],,,chebi:15547,pubchem:7280,,https://rest.kegg.jp/get/kegg:C04707/image -H2O2(aq),kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/kegg:C00027/image +AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP.gif,https://rest.kegg.jp/get/:/image +diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/:/image +L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/:/image +propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/:/image +L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/:/image +D-arabitol(aq),kegg:C01904,[],,,chebi:18333,pubchem:5013,,https://rest.kegg.jp/get/:/image +D-carnitine(aq),kegg:C15025,[],,,chebi:11060,pubchem:17396022,,https://rest.kegg.jp/get/:/image +prostaglandin E2(aq),kegg:C00584,[],,,chebi:15551,pubchem:3863,,https://rest.kegg.jp/get/:/image +15-oxo-prostaglandin E2(aq),kegg:C04707,[],,,chebi:15547,pubchem:7280,,https://rest.kegg.jp/get/:/image +H2O2(aq),kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/:/image beta-D-glucose(aq),,[],,,,,, -1/2 O2(aq),0.5 kegg:C00007,[],,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/kegg:C00007/image -cholesterol(aq),kegg:C00187,[],,,chebi:16113,pubchem:3487,,https://rest.kegg.jp/get/kegg:C00187/image -cholest-4-en-3-one(aq),kegg:C00599,[],,,chebi:16175,pubchem:3875,,https://rest.kegg.jp/get/kegg:C00599/image -prephenate(aq),kegg:C00254,[],,,chebi:29934,pubchem:3553,,https://rest.kegg.jp/get/kegg:C00254/image -4-hydroxyphenylpyruvate(aq),kegg:C01179,[],,,chebi:36242,pubchem:4406,,https://rest.kegg.jp/get/kegg:C01179/image +1/2 O2(aq),0.5 kegg:C00007,[],,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image +cholesterol(aq),kegg:C00187,[],,,chebi:16113,pubchem:3487,,https://rest.kegg.jp/get/:/image +cholest-4-en-3-one(aq),kegg:C00599,[],,,chebi:16175,pubchem:3875,,https://rest.kegg.jp/get/:/image +prephenate(aq),kegg:C00254,[],,,chebi:29934,pubchem:3553,,https://rest.kegg.jp/get/:/image +4-hydroxyphenylpyruvate(aq),kegg:C01179,[],,,chebi:36242,pubchem:4406,,https://rest.kegg.jp/get/:/image oxonic acid(aq),,[],,,,,, dihydroxonic acid(aq),,[],,,,,, -lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/kegg:C00725/image +lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/:/image S-aminomethyldihydro--lipoate(aq),metanetx.chemical:MNXM39260,[],,,,,, -urate(aq),kegg:C00366,[],,,chebi:17775,pubchem:3657,,https://rest.kegg.jp/get/kegg:C00366/image -allantoin(aq),kegg:C01551,[],,,chebi:15676,pubchem:4709,,https://rest.kegg.jp/get/kegg:C01551/image -H2O2,kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/kegg:C00027/image +urate(aq),kegg:C00366,[],,,chebi:17775,pubchem:3657,,https://rest.kegg.jp/get/:/image +allantoin(aq),kegg:C01551,[],,,chebi:15676,pubchem:4709,,https://rest.kegg.jp/get/:/image +H2O2,kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/:/image reduced thiocyanate,,[],,,,,, oxidized thiocyanate,,[],,,,,, -dodecanal(aq),kegg:C02278,[],,,chebi:27836,pubchem:5336,,https://rest.kegg.jp/get/kegg:C02278/image -FMN(reduced),kegg:C01847,[],,,chebi:16048,pubchem:4964,,https://rest.kegg.jp/get/kegg:C01847/image -dodecanoic acid(aq),kegg:C02679,[],,,chebi:18262,pubchem:5649,,https://rest.kegg.jp/get/kegg:C02679/image -FMN(oxidized),kegg:C00061,[],,,chebi:17621,pubchem:3361,,https://rest.kegg.jp/get/kegg:C00061/image -(+)-camphor(aq),kegg:C00808,[],,,chebi:15396,pubchem:4066,,https://rest.kegg.jp/get/kegg:C00808/image -(+)-5-exo-hydroxycamphor(aq),kegg:C03448,[],,,chebi:20570,pubchem:6270,,https://rest.kegg.jp/get/kegg:C03448/image -CH2-H4PteGlu4(aq),kegg:C04377,[],,,chebi:16568,pubchem:7018,,https://rest.kegg.jp/get/kegg:C04377/image -H4PteGlu4(aq),kegg:C01217,[],,,chebi:17321,pubchem:4439,,https://rest.kegg.jp/get/kegg:C01217/image -O-acetyl-L-serine(aq),kegg:C00979,[],,,chebi:17981,pubchem:4228,,https://rest.kegg.jp/get/kegg:C00979/image -phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,,https://rest.kegg.jp/get/kegg:C00166/image -L-tyrosine(aq),kegg:C00082,[],,,chebi:17895,pubchem:3382,,https://rest.kegg.jp/get/kegg:C00082/image -4-methyl-2-oxopentanooate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/kegg:C00233/image -3-aminopropionaldehyde(aq),kegg:C05665,[],,,chebi:18090,pubchem:7975,,https://rest.kegg.jp/get/kegg:C05665/image -"1,3-diaminopropane(aq)",kegg:C00986,[],,,chebi:15725,pubchem:4233,,https://rest.kegg.jp/get/kegg:C00986/image --isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/kegg:C00252/image -amoxicillin(aq),kegg:C06827,[],,,chebi:2676,pubchem:9045,,https://rest.kegg.jp/get/kegg:C06827/image -D-4-hydroxyphenylglycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/kegg:C03493/image -N-glycolylneuraminate(aq),kegg:C03410,[],,,chebi:29025,pubchem:6239,,https://rest.kegg.jp/get/kegg:C03410/image -N-glycolyl-D-mannosamine(aq),kegg:C03521,[],,,chebi:28255,pubchem:6329,,https://rest.kegg.jp/get/kegg:C03521/image -chorismate(aq),kegg:C00251,[],,,chebi:17333,pubchem:3550,,https://rest.kegg.jp/get/kegg:C00251/image -4-hydroxybenzoate(aq),kegg:C00156,[],,,chebi:17879,pubchem:3456,,https://rest.kegg.jp/get/kegg:C00156/image -"cyclohexa-1,5-diene-1-carboxyl-CoA(aq)",kegg:C06322,[],,,chebi:15520,pubchem:8558,,https://rest.kegg.jp/get/kegg:C06322/image -6-hydroxycyclohex-1-ene-carboxyl-CoA(aq),kegg:C06749,[],,,chebi:15505,pubchem:8970,,https://rest.kegg.jp/get/kegg:C06749/image +dodecanal(aq),kegg:C02278,[],,,chebi:27836,pubchem:5336,,https://rest.kegg.jp/get/:/image +FMN(reduced),kegg:C01847,[],,,chebi:16048,pubchem:4964,,https://rest.kegg.jp/get/:/image +dodecanoic acid(aq),kegg:C02679,[],,,chebi:18262,pubchem:5649,,https://rest.kegg.jp/get/:/image +FMN(oxidized),kegg:C00061,[],,,chebi:17621,pubchem:3361,,https://rest.kegg.jp/get/:/image +(+)-camphor(aq),kegg:C00808,[],,,chebi:15396,pubchem:4066,,https://rest.kegg.jp/get/:/image +(+)-5-exo-hydroxycamphor(aq),kegg:C03448,[],,,chebi:20570,pubchem:6270,,https://rest.kegg.jp/get/:/image +CH2-H4PteGlu4(aq),kegg:C04377,[],,,chebi:16568,pubchem:7018,,https://rest.kegg.jp/get/:/image +H4PteGlu4(aq),kegg:C01217,[],,,chebi:17321,pubchem:4439,,https://rest.kegg.jp/get/:/image +O-acetyl-L-serine(aq),kegg:C00979,[],,,chebi:17981,pubchem:4228,,https://rest.kegg.jp/get/:/image +phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,,https://rest.kegg.jp/get/:/image +L-tyrosine(aq),kegg:C00082,[],,,chebi:17895,pubchem:3382,,https://rest.kegg.jp/get/:/image +4-methyl-2-oxopentanooate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/:/image +3-aminopropionaldehyde(aq),kegg:C05665,[],,,chebi:18090,pubchem:7975,,https://rest.kegg.jp/get/:/image +"1,3-diaminopropane(aq)",kegg:C00986,[],,,chebi:15725,pubchem:4233,,https://rest.kegg.jp/get/:/image +-isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/:/image +amoxicillin(aq),kegg:C06827,[],,,chebi:2676,pubchem:9045,,https://rest.kegg.jp/get/:/image +D-4-hydroxyphenylglycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/:/image +N-glycolylneuraminate(aq),kegg:C03410,[],,,chebi:29025,pubchem:6239,,https://rest.kegg.jp/get/:/image +N-glycolyl-D-mannosamine(aq),kegg:C03521,[],,,chebi:28255,pubchem:6329,,https://rest.kegg.jp/get/:/image +chorismate(aq),kegg:C00251,[],,,chebi:17333,pubchem:3550,,https://rest.kegg.jp/get/:/image +4-hydroxybenzoate(aq),kegg:C00156,[],,,chebi:17879,pubchem:3456,,https://rest.kegg.jp/get/:/image +"cyclohexa-1,5-diene-1-carboxyl-CoA(aq)",kegg:C06322,[],,,chebi:15520,pubchem:8558,,https://rest.kegg.jp/get/:/image +6-hydroxycyclohex-1-ene-carboxyl-CoA(aq),kegg:C06749,[],,,chebi:15505,pubchem:8970,,https://rest.kegg.jp/get/:/image indol-3-yl-glycerol-3-phosphate(aq),,[],,,,,, -H2o(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/kegg:C00001/image -4-amino-4-deoxychorismate(aq),kegg:C11355,[],,,chebi:35181,pubchem:13530,,https://rest.kegg.jp/get/kegg:C11355/image -isochorismate(aq),kegg:C00885,[],,,chebi:29780,pubchem:4141,,https://rest.kegg.jp/get/kegg:C00885/image -2-amino-2-deoxyisochorismate(aq),kegg:C18054,[],,,chebi:49197,pubchem:96024274,,https://rest.kegg.jp/get/kegg:C18054/image +H2o(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image +4-amino-4-deoxychorismate(aq),kegg:C11355,[],,,chebi:35181,pubchem:13530,,https://rest.kegg.jp/get/:/image +isochorismate(aq),kegg:C00885,[],,,chebi:29780,pubchem:4141,,https://rest.kegg.jp/get/:/image +2-amino-2-deoxyisochorismate(aq),kegg:C18054,[],,,chebi:49197,pubchem:96024274,,https://rest.kegg.jp/get/:/image 2-benzyl-1-cyclohexanone(sln),,[],,,,,, 2-propanol(sln),,[],,,,,, (±)-cis-2-benzyl-1-cyclohexanol(sln),,[],,,,,, @@ -843,66 +843,66 @@ cyclopentanol(sln),,[],,,,,images/rdkit/cyclopentanol(sln).gif, (±)-cis-2-phenyl-1-pentanol(sln),,[],,,,,, 1-phenyl-1-propanone(sln),,[],,,,,images/rdkit/1-phenyl-1-propanone(sln).gif, (±)-cis-2-phenyl-1-propanol(sln),,[],,,,,, -NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/kegg:C00006/image -NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/kegg:C00005/image -D-mannitol-1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,,https://rest.kegg.jp/get/kegg:C00644/image -NAD(ox)(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/kegg:C00003/image -NAD(red)(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/kegg:C00004/image -D-2-hydroxy-n-butanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/kegg:C05984/image +NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/:/image +NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/:/image +D-mannitol-1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,,https://rest.kegg.jp/get/:/image +NAD(ox)(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image +NAD(red)(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/:/image +D-2-hydroxy-n-butanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/:/image "(2R,3R)-erythro-fluoromalate(aq)",,[],,,,,, (3R)-fluorooxaloacetate(aq),,[],,,,,, 3-acetylpyridine adenine dinucleotide(ox)(aq),,[],,,,,, 3-acetylpyridine adenine dinucleotide(red)(aq),,[],,,,,, -pyridoxine(aq),kegg:C00314,[],,,chebi:16709,pubchem:3608,,https://rest.kegg.jp/get/kegg:C00314/image -"(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)",kegg:C05662,[],,,chebi:30904,pubchem:7972,,https://rest.kegg.jp/get/kegg:C05662/image -NAD(ox),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/kegg:C00003/image -NAD(red),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/kegg:C00004/image +pyridoxine(aq),kegg:C00314,[],,,chebi:16709,pubchem:3608,,https://rest.kegg.jp/get/:/image +"(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)",kegg:C05662,[],,,chebi:30904,pubchem:7972,,https://rest.kegg.jp/get/:/image +NAD(ox),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image +NAD(red),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/:/image dTDP-6-deoxy-L-lyxo-4-hexulose(aq),,[],,,,,, dTDP-L-rhamnose(aq),,[],,,,,, dTDP-6-deoxy-D-lyxo-4-hexulose(aq),,[],,,,,, -(R)-pantoate(aq),kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,,https://rest.kegg.jp/get/kegg:C00522/image -NADP(ox),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/kegg:C00006/image -2-dehydropantoate(aq),kegg:C00966,[],,,chebi:11561,pubchem:4217,,https://rest.kegg.jp/get/kegg:C00966/image -2-keto-L-gulonate(aq),kegg:C15673,[],,,chebi:36602,pubchem:47204999,,https://rest.kegg.jp/get/kegg:C15673/image -"2,5-diketo-D-gluconate(aq)",kegg:C02780,[],,,chebi:18281,pubchem:5731,,https://rest.kegg.jp/get/kegg:C02780/image +(R)-pantoate(aq),kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,,https://rest.kegg.jp/get/:/image +NADP(ox),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/:/image +2-dehydropantoate(aq),kegg:C00966,[],,,chebi:11561,pubchem:4217,,https://rest.kegg.jp/get/:/image +2-keto-L-gulonate(aq),kegg:C15673,[],,,chebi:36602,pubchem:47204999,,https://rest.kegg.jp/get/:/image +"2,5-diketo-D-gluconate(aq)",kegg:C02780,[],,,chebi:18281,pubchem:5731,,https://rest.kegg.jp/get/:/image 4-dimethylaminomethylbenzylamine(aq),,[],,,,,, 4-dimethylaminomethylbenzaldehyde(aq),,[],,,,,, -"N6-(L-1,3-dicarboxypropyl)-L-lysine",kegg:C00449,[],,,chebi:16927,pubchem:3737,,https://rest.kegg.jp/get/kegg:C00449/image -glutathoine(red)(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/kegg:C00051/image -glutathoine(ox)(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/kegg:C00127/image +"N6-(L-1,3-dicarboxypropyl)-L-lysine",kegg:C00449,[],,,chebi:16927,pubchem:3737,,https://rest.kegg.jp/get/:/image +glutathoine(red)(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image +glutathoine(ox)(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/:/image glutathione(red)(ox),,[],,,,,, glutathione(ox)(aq),,[],,,,,, -O2-,2 kegg:C00704,[],,,chebi:18421,pubchem:3971,,https://rest.kegg.jp/get/kegg:C00704/image -O2,kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/kegg:C00007/image +O2-,2 kegg:C00704,[],,,chebi:18421,pubchem:3971,,https://rest.kegg.jp/get/:/image +O2,kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image methyl viologen(red)(aq),,[],,,,,, methyl viologen(ox)(aq),,[],,,,,, H2(g),,[],,,,,, -(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq),kegg:C04688,[],,,,pubchem:7269,,https://rest.kegg.jp/get/kegg:C04688/image +(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq),kegg:C04688,[],,,,pubchem:7269,,https://rest.kegg.jp/get/:/image acyl-carrier-protein(aq),kegg:C03688,[],,,chebi:16139,pubchem:6463,, -UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq),kegg:C04738,[],,,chebi:61537,pubchem:7309,,https://rest.kegg.jp/get/kegg:C04738/image -corrinoid protein(aq),kegg:C06021,[],,,chebi:33913,pubchem:8293,,https://rest.kegg.jp/get/kegg:C06021/image -carbon monoxide(aq),kegg:C00237,[],,,chebi:17245,pubchem:3536,,https://rest.kegg.jp/get/kegg:C00237/image -methylcorrinoid protein(aq),kegg:C06020,[],,,,pubchem:8292,,https://rest.kegg.jp/get/kegg:C06020/image -'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,,https://rest.kegg.jp/get/kegg:C05512/image -orotidine 5 '-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/kegg:C01103/image -Nicotinate D-ribonucleotide(aq),kegg:C01185,[],,,chebi:15763,pubchem:4411,,https://rest.kegg.jp/get/kegg:C01185/image -nicotinic acid(aq),kegg:C00253,[],,,chebi:32544,pubchem:3552,,https://rest.kegg.jp/get/kegg:C00253/image -5-Phospho-alpha-D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/kegg:C00119/image -'-methylthioadenosine(aq),kegg:C00170,[],,,chebi:17509,pubchem:3470,,https://rest.kegg.jp/get/kegg:C00170/image -5-methylthio-D-ribose 1-phosphate(aq),kegg:C04188,[],,,chebi:27859,pubchem:6864,,https://rest.kegg.jp/get/kegg:C04188/image -(2-aminoethyl)phosphonate(aq),kegg:C03557,[],,,chebi:15573,pubchem:6353,,https://rest.kegg.jp/get/kegg:C03557/image -2-phosphonoacetaldehyde(aq),kegg:C03167,[],,,chebi:18124,pubchem:6050,,https://rest.kegg.jp/get/kegg:C03167/image -2-oxoisocaproate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/kegg:C00233/image +UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq),kegg:C04738,[],,,chebi:61537,pubchem:7309,,https://rest.kegg.jp/get/:/image +corrinoid protein(aq),kegg:C06021,[],,,chebi:33913,pubchem:8293,,https://rest.kegg.jp/get/:/image +carbon monoxide(aq),kegg:C00237,[],,,chebi:17245,pubchem:3536,,https://rest.kegg.jp/get/:/image +methylcorrinoid protein(aq),kegg:C06020,[],,,,pubchem:8292,,https://rest.kegg.jp/get/:/image +'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,,https://rest.kegg.jp/get/:/image +orotidine 5 '-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/:/image +Nicotinate D-ribonucleotide(aq),kegg:C01185,[],,,chebi:15763,pubchem:4411,,https://rest.kegg.jp/get/:/image +nicotinic acid(aq),kegg:C00253,[],,,chebi:32544,pubchem:3552,,https://rest.kegg.jp/get/:/image +5-Phospho-alpha-D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/:/image +'-methylthioadenosine(aq),kegg:C00170,[],,,chebi:17509,pubchem:3470,,https://rest.kegg.jp/get/:/image +5-methylthio-D-ribose 1-phosphate(aq),kegg:C04188,[],,,chebi:27859,pubchem:6864,,https://rest.kegg.jp/get/:/image +(2-aminoethyl)phosphonate(aq),kegg:C03557,[],,,chebi:15573,pubchem:6353,,https://rest.kegg.jp/get/:/image +2-phosphonoacetaldehyde(aq),kegg:C03167,[],,,chebi:18124,pubchem:6050,,https://rest.kegg.jp/get/:/image +2-oxoisocaproate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/:/image L-tert-leucine(aq),,[],,,,,, "3,3-dimethyl-2-oxobutanoate(aq)",,[],,,,,, -L-valine(aq),kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,,https://rest.kegg.jp/get/kegg:C00183/image -2-oxovalerate(aq),kegg:C06255,[],,,chebi:33033,pubchem:8494,,https://rest.kegg.jp/get/kegg:C06255/image +L-valine(aq),kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,,https://rest.kegg.jp/get/:/image +2-oxovalerate(aq),kegg:C06255,[],,,chebi:33033,pubchem:8494,,https://rest.kegg.jp/get/:/image serpeptide(aq),,[],,,,,, phosphorylated serpeptide(aq),,[],,,,,, syntide 2(aq),,[],,,,,, phosphosyntide(aq),,[],,,,,, -myosin light chain(aq),kegg:C01003,[],,,,pubchem:4249,,https://rest.kegg.jp/get/kegg:C01003/image -myosin light chain phosphate(aq),kegg:C03875,[],,,,pubchem:6609,,https://rest.kegg.jp/get/kegg:C03875/image +myosin light chain(aq),kegg:C01003,[],,,,pubchem:4249,,https://rest.kegg.jp/get/:/image +myosin light chain phosphate(aq),kegg:C03875,[],,,,pubchem:6609,,https://rest.kegg.jp/get/:/image 2-aminobenzoic acid(aq) ,,[],,,,,, 2-aminobenzoic acid adenylate(aq),,[],,,,,, 3-aminobenzoic acid(aq) ,,[],,,,,, @@ -925,8 +925,8 @@ benzoic acid adenylate(aq),,[],,,,,, 3-methylbenzoic acid adenylate(aq),,[],,,,,, 4-methylbenzoic acid(aq),,[],,,,,images/rdkit/4-methylbenzoic acid(aq).gif, 4-methylbenzoic acid adenylate(aq),,[],,,,,, -Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/kegg:C05945/image -adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/kegg:C00224/image +Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/:/image +adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/:/image deoxynucleoside triphosphate(aq),,[],,,,,, polyd-A-Tn(aq),,[],,,,,, polyd-A-Tn+1(aq),,[],,,,,, @@ -967,8 +967,8 @@ trans-2-hydroxycyclopentanemethanol-phosphate(aq),,[],,,,,, 2-methoxy-3-hydroxypropyl phosphate(aq),,[],,,,,, 5-methyltrimethylene phosphate(aq),,[],,,,,, 2-methyl-3-hydroxypropyl phosphate(aq),,[],,,,,, -"guanosine 3 ',5 '-cyclic phosphate(aq)",kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/kegg:C00942/image -guanosine 5 '-phosphate(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/kegg:C00144/image +"guanosine 3 ',5 '-cyclic phosphate(aq)",kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/:/image +guanosine 5 '-phosphate(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/:/image 4-nitrophenyl acetate(aq),,[],,,,,, succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq),,[],,,,,, succinylAla-Ala-Pro-Leu(aq),,[],,,,,, @@ -976,7 +976,7 @@ succinylAla-Ala-Pro-Leu(aq),,[],,,,,, succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq),,[],,,,,, succinylAla-Ala-Pro-Phe(aq),,[],,,,,, 4-nitrophenylanalide(aq),,[],,,,,, -D-(4-hydroxyphenyl)glycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/kegg:C03493/image +D-(4-hydroxyphenyl)glycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/:/image cefamandole(aq),,[],,,,,, 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq),,[],,,,,, D-mandelic acid(aq),,[],,,,,, @@ -988,66 +988,66 @@ L-cysteine(aq),,[],,,,,, N-acetyl-L-norleucine(aq),,[],,,,,, L-norleucine(aq),,[],,,,,, N-acetyl-L-valine(aq),,[],,,,,, -N-acetyl-L-phenylalanine(aq),kegg:C03519,[],,,chebi:16259,pubchem:6328,,https://rest.kegg.jp/get/kegg:C03519/image -anandamide(aq),kegg:C11695,[],,,chebi:2700,pubchem:13860,,https://rest.kegg.jp/get/kegg:C11695/image -ethanolamine(aq),kegg:C00189,[],,,chebi:16000,pubchem:3489,,https://rest.kegg.jp/get/kegg:C00189/image -arachidonic acid(aq),kegg:C00219,[],,,chebi:15843,pubchem:3519,,https://rest.kegg.jp/get/kegg:C00219/image -palmitoylethanolamide(aq),kegg:C16512,[],,,chebi:71464,pubchem:49661772,,https://rest.kegg.jp/get/kegg:C16512/image -palmitic acid(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/kegg:C00249/image -"5,6-dihydrouracil(aq)",kegg:C00429,[],,,chebi:15901,pubchem:3718,,https://rest.kegg.jp/get/kegg:C00429/image -3-ureidopropanoic acid(aq),kegg:C02642,[],,,chebi:18261,pubchem:5621,,https://rest.kegg.jp/get/kegg:C02642/image -"((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)",kegg:C05922,[],,,,pubchem:8210,,https://rest.kegg.jp/get/kegg:C05922/image -benzonitrile(aq),kegg:C09814,[],,,chebi:27991,pubchem:12002,,https://rest.kegg.jp/get/kegg:C09814/image -H2O(aq),2 kegg:C00001,[],,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/kegg:C00001/image -benzoic acid(aq),kegg:C00180,[],,,chebi:16150,pubchem:3480,,https://rest.kegg.jp/get/kegg:C00180/image -benzyl cyanide(aq),kegg:C16074,[],,,chebi:25979,pubchem:47205384,,https://rest.kegg.jp/get/kegg:C16074/image -3-indoleacetonitrile(aq),kegg:C02938,[],,,chebi:17566,pubchem:5857,,https://rest.kegg.jp/get/kegg:C02938/image -indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest.kegg.jp/get/kegg:C00954/image -"D-ribulose 1,5-bisphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/kegg:C01182/image -2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq),kegg:C04691,[],,,chebi:18150,pubchem:7271,,https://rest.kegg.jp/get/kegg:C04691/image -2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/kegg:C00204/image -anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/kegg:C00108/image -(3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/kegg:C01144/image -trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/kegg:C00877/image -4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/kegg:C04114/image -UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/kegg:C00203/image -D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/kegg:C06463/image -"(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/kegg:C05439/image -"(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/kegg:C05437/image -3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/kegg:C02798/image +N-acetyl-L-phenylalanine(aq),kegg:C03519,[],,,chebi:16259,pubchem:6328,,https://rest.kegg.jp/get/:/image +anandamide(aq),kegg:C11695,[],,,chebi:2700,pubchem:13860,,https://rest.kegg.jp/get/:/image +ethanolamine(aq),kegg:C00189,[],,,chebi:16000,pubchem:3489,,https://rest.kegg.jp/get/:/image +arachidonic acid(aq),kegg:C00219,[],,,chebi:15843,pubchem:3519,,https://rest.kegg.jp/get/:/image +palmitoylethanolamide(aq),kegg:C16512,[],,,chebi:71464,pubchem:49661772,,https://rest.kegg.jp/get/:/image +palmitic acid(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/:/image +"5,6-dihydrouracil(aq)",kegg:C00429,[],,,chebi:15901,pubchem:3718,,https://rest.kegg.jp/get/:/image +3-ureidopropanoic acid(aq),kegg:C02642,[],,,chebi:18261,pubchem:5621,,https://rest.kegg.jp/get/:/image +"((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)",kegg:C05922,[],,,,pubchem:8210,,https://rest.kegg.jp/get/:/image +benzonitrile(aq),kegg:C09814,[],,,chebi:27991,pubchem:12002,,https://rest.kegg.jp/get/:/image +H2O(aq),2 kegg:C00001,[],,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image +benzoic acid(aq),kegg:C00180,[],,,chebi:16150,pubchem:3480,,https://rest.kegg.jp/get/:/image +benzyl cyanide(aq),kegg:C16074,[],,,chebi:25979,pubchem:47205384,,https://rest.kegg.jp/get/:/image +3-indoleacetonitrile(aq),kegg:C02938,[],,,chebi:17566,pubchem:5857,,https://rest.kegg.jp/get/:/image +indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest.kegg.jp/get/:/image +"D-ribulose 1,5-bisphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/:/image +2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq),kegg:C04691,[],,,chebi:18150,pubchem:7271,,https://rest.kegg.jp/get/:/image +2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/:/image +anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/:/image +(3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image +trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/:/image +4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/:/image +UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/:/image +D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/:/image +"(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/:/image +"(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/:/image +3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/:/image tRNA-Tyr(aq),kegg:C00787,[],,,chebi:29182,pubchem:4045,, -L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/kegg:C02839/image +L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/:/image tRNA-Thr(aq),kegg:C01651,[],,,chebi:29180,pubchem:4800,, -L-threonyl-tRNA-Thr(aq),kegg:C02992,[],,,chebi:29163,pubchem:5901,,https://rest.kegg.jp/get/kegg:C02992/image -L-isoleusine(aq),kegg:C00407,[],,,chebi:17191,pubchem:3697,,https://rest.kegg.jp/get/kegg:C00407/image +L-threonyl-tRNA-Thr(aq),kegg:C02992,[],,,chebi:29163,pubchem:5901,,https://rest.kegg.jp/get/:/image +L-isoleusine(aq),kegg:C00407,[],,,chebi:17191,pubchem:3697,,https://rest.kegg.jp/get/:/image tRNA-Ile(aq),kegg:C01644,[],,,chebi:29174,pubchem:4793,, -L-isoleucyl-tRNA-Ile(aq),kegg:C03127,[],,,chebi:29160,pubchem:6020,,https://rest.kegg.jp/get/kegg:C03127/image +L-isoleucyl-tRNA-Ile(aq),kegg:C03127,[],,,chebi:29160,pubchem:6020,,https://rest.kegg.jp/get/:/image tRNA-Lys(aq),kegg:C01646,[],,,chebi:29185,pubchem:4795,, -L-lysyl-tRNA-Lys(aq),kegg:C01931,[],,,chebi:16047,pubchem:5037,,https://rest.kegg.jp/get/kegg:C01931/image +L-lysyl-tRNA-Lys(aq),kegg:C01931,[],,,chebi:16047,pubchem:5037,,https://rest.kegg.jp/get/:/image tRNA-Ser(aq),kegg:C01650,[],,,chebi:29179,pubchem:4799,, -L-seryl-tRNA-Ser(aq),kegg:C02553,[],,,chebi:29162,pubchem:5554,,https://rest.kegg.jp/get/kegg:C02553/image +L-seryl-tRNA-Ser(aq),kegg:C02553,[],,,chebi:29162,pubchem:5554,,https://rest.kegg.jp/get/:/image tRNA-Arg(aq),kegg:C01636,[],,,chebi:29171,pubchem:4785,, -L-arginyl-tRNA-Arg(aq),kegg:C02163,[],,,chebi:18366,pubchem:5239,,https://rest.kegg.jp/get/kegg:C02163/image +L-arginyl-tRNA-Arg(aq),kegg:C02163,[],,,chebi:18366,pubchem:5239,,https://rest.kegg.jp/get/:/image tRNA-Phe(aq),kegg:C01648,[],,,chebi:29184,pubchem:4797,, -L-phenylalanyl-tRNA-Phe(aq),kegg:C03511,[],,,chebi:29153,pubchem:6321,,https://rest.kegg.jp/get/kegg:C03511/image +L-phenylalanyl-tRNA-Phe(aq),kegg:C03511,[],,,chebi:29153,pubchem:6321,,https://rest.kegg.jp/get/:/image tRNA-His(aq),kegg:C01643,[],,,chebi:29178,pubchem:4792,, -L-histidyl-tRNA-His(aq),kegg:C02988,[],,,chebi:29155,pubchem:5897,,https://rest.kegg.jp/get/kegg:C02988/image +L-histidyl-tRNA-His(aq),kegg:C02988,[],,,chebi:29155,pubchem:5897,,https://rest.kegg.jp/get/:/image (deoxyribonucleotide)_n(aq),,[],,,chebi:16991,pubchem:3341,, (deoxyribonucleotide)_m(aq),,[],,,chebi:16991,pubchem:3341,, (deoxyribonucleotide)_m+n(aq),,[],,,chebi:16991,pubchem:3341,, -NAD+(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/kegg:C00003/image -THF(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/kegg:C00101/image -"5,10-CH2-THF(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,,https://rest.kegg.jp/get/kegg:C00143/image -NH3(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,,https://rest.kegg.jp/get/kegg:C00014/image -CO2(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/kegg:C00288/image -Aminoimidazole ribotide,kegg:C03373,[],,,chebi:138560,pubchem:6208,,https://rest.kegg.jp/get/kegg:C03373/image -CO2,kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/kegg:C00288/image -1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate,kegg:C04751,[],,,chebi:28413,pubchem:7321,,https://rest.kegg.jp/get/kegg:C04751/image -10-Formyltetrahydrofolate,kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/kegg:C00234/image -Tetrahydrofolate,kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/kegg:C00101/image -1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide,kegg:C04734,[],,,chebi:18381,pubchem:7305,,https://rest.kegg.jp/get/kegg:C04734/image -D-Ribulose 5-phosphate,kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/kegg:C00199/image -Formaldehyde,kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/kegg:C00067/image -D-arabino-Hex-3-ulose 6-phosphate,kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,,https://rest.kegg.jp/get/kegg:C06019/image -D-Fructose 6-phosphate,kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,,https://rest.kegg.jp/get/kegg:C00085/image -",-trehalose 6-phosphate(aq)",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,,https://rest.kegg.jp/get/kegg:C00689/image +NAD+(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image +THF(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image +"5,10-CH2-THF(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,,https://rest.kegg.jp/get/:/image +NH3(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,,https://rest.kegg.jp/get/:/image +CO2(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image +Aminoimidazole ribotide,kegg:C03373,[],,,chebi:138560,pubchem:6208,,https://rest.kegg.jp/get/:/image +CO2,kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image +1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate,kegg:C04751,[],,,chebi:28413,pubchem:7321,,https://rest.kegg.jp/get/:/image +10-Formyltetrahydrofolate,kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/:/image +Tetrahydrofolate,kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image +1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide,kegg:C04734,[],,,chebi:18381,pubchem:7305,,https://rest.kegg.jp/get/:/image +D-Ribulose 5-phosphate,kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/:/image +Formaldehyde,kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/:/image +D-arabino-Hex-3-ulose 6-phosphate,kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,,https://rest.kegg.jp/get/:/image +D-Fructose 6-phosphate,kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,,https://rest.kegg.jp/get/:/image +",-trehalose 6-phosphate(aq)",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,,https://rest.kegg.jp/get/:/image From a520da603662c0cafe4fe23253ae73cdcb63e226 Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 05:11:21 +0100 Subject: [PATCH 3/6] minor csv modif --- maxime/final_compound_csv.csv | 1424 ++++++++++++++++----------------- 1 file changed, 712 insertions(+), 712 deletions(-) diff --git a/maxime/final_compound_csv.csv b/maxime/final_compound_csv.csv index 93e7794..6cbe66b 100644 --- a/maxime/final_compound_csv.csv +++ b/maxime/final_compound_csv.csv @@ -1,115 +1,115 @@ name,kegg,synonyms,inchikey,smiles,chebis,pubchems,rdkit_img,kegg_img -benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/:/image -NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/:/image -benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/:/image -NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/:/image -1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/:/image -butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/:/image -cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/:/image -cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/:/image -ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/:/image -acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/:/image +benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/C00556/image +NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/C00003/image +benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/C00261/image +NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/C00004/image +1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/C06142/image +butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/C01412/image +cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/C00854/image +cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/C00414/image +ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/C00469/image +acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/C00084/image AP-NAD(aq),COCO:COCOM00012,[],,,,,, AP-NADH(aq),COCO:COCOM00013,[],,,,,, desamino NAD(aq),,[],,,,,, desamino NADH(aq),,[],,,,,, 1-hexanol,,[],,,,,, -NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image +NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image hexanal,,[],,,,,, NADH,,[],,,,,, -cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/:/image -cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/:/image +cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/C08492/image +cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/C16310/image trans-2-hexen-1-ol,,[],,,,,images/rdkit/trans-2-hexen-1-ol.gif, trans-2-hexenal,,[],,,,,images/rdkit/trans-2-hexenal.gif, 1-nonanol,,[],,,,,images/rdkit/1-nonanol.gif, nonanal,,[],,,,,images/rdkit/nonanal.gif, -1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/:/image -octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/:/image -1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/:/image -propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/:/image -2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/:/image -acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/:/image -vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/:/image -vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/:/image -L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/:/image -L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/:/image -NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/:/image -NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/:/image -"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/:/image -(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/:/image -glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/:/image -dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/:/image -sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/:/image -sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/:/image +1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/C00756/image +octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/C01545/image +1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/C05979/image +propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/C00479/image +2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/C01845/image +acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/C00207/image +vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/C00473/image +vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/C00376/image +L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/C00263/image +L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/C00441/image +NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/C00006/image +NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/C00005/image +"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/C03044/image +(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/C00810/image +glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/C00116/image +dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/C00184/image +sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C00093/image +dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/C00093/image allitol(aq),,[],,,,,images/rdkit/allitol(aq).gif, -D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/:/image +D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/C06468/image D-glycero-D-glucoheptitol(aq),,[],,,,,images/rdkit/D-glycero-D-glucoheptitol(aq).gif, D-sedoheptulose(aq),,[],,,,,images/rdkit/D-sedoheptulose(aq).gif, -L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/:/image -L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/:/image -ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/:/image -D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/:/image -D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/:/image -D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/:/image +L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/C01507/image +L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/C00247/image +ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/C00474/image +D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/C00309/image +D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/C00794/image +D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/C00095/image L-threitol(aq),,[],,,,,images/rdkit/L-threitol(aq).gif, -L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/:/image -xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/:/image -D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/:/image -L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/:/image -galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/:/image -D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/:/image -D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/:/image -D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/C02045/image +xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/C00379/image +D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/C00310/image +L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/C00312/image +galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/C01697/image +D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/C00795/image +D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/C00392/image +D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00644/image +D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00085/image myo-inositol,,[],,,,,images/rdkit/myo-inositol.gif, 2-oxo-myo-inositol,,[],,,,,, -D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/:/image -quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/:/image -5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/:/image -shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/:/image -3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/:/image -(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/:/image -hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image -glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/:/image -glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/:/image -2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/:/image -2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/:/image +D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/C00181/image +quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/C00296/image +5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/C00493/image +3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/C02637/image +(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/C00258/image +hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C00168/image +glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/C00160/image +glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/C00048/image +2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/C05984/image +2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/C00109/image "2,4-dihydroxybutanoate(aq)",,[],,,,,, 2-oxo-4-hydroxybutanoate(aq),,[],,,,,, -(S)-lactate(aq),kegg:C00186,[],,,chebi:16651,pubchem:3486,,https://rest.kegg.jp/get/:/image -pyruvate(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/:/image -(R)-lactate(aq),kegg:C00256,[],,,chebi:16004,pubchem:3555,,https://rest.kegg.jp/get/:/image -(R)-3-hydroxybutanoate(aq),kegg:C01089,[],,,chebi:10983,pubchem:4324,,https://rest.kegg.jp/get/:/image -3-oxobutanoate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/:/image -3-hydroxy-2-methylpropanoate(aq),kegg:C01188,[],,,chebi:11805,pubchem:4414,,https://rest.kegg.jp/get/:/image -2-methyl-3-oxopropanoate(aq),kegg:C00349,[],,,chebi:16256,pubchem:3642,,https://rest.kegg.jp/get/:/image -(S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image -3-oxobutanoyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/:/image -(S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,,https://rest.kegg.jp/get/:/image -3-oxohexanoyl-CoA(aq),kegg:C05269,[],,,chebi:27648,pubchem:7656,,https://rest.kegg.jp/get/:/image -(S)-malate(aq),kegg:C00149,[],,,chebi:15589,pubchem:3449,,https://rest.kegg.jp/get/:/image -oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,,https://rest.kegg.jp/get/:/image -meso-tartrate(aq),kegg:C00552,[],,,chebi:15673,pubchem:3833,,https://rest.kegg.jp/get/:/image -(E)-dihydroxyfumarate(aq),kegg:C00975,[],,,chebi:17795,pubchem:4224,,https://rest.kegg.jp/get/:/image -2-oxo-3-hydroxysuccinate(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/:/image -L-glutamate(aq),kegg:C00025,[],,,chebi:16015,pubchem:3327,,https://rest.kegg.jp/get/:/image -L-aspartate(aq),kegg:C00049,[],,,chebi:17053,pubchem:3351,,https://rest.kegg.jp/get/:/image -2-oxoglutarate(aq),kegg:C00026,[],,,chebi:16810,pubchem:3328,,https://rest.kegg.jp/get/:/image -acetyl-CoA(aq),kegg:C00024,[],,,chebi:15351,pubchem:3326,,https://rest.kegg.jp/get/:/image -H2O(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image -citrate(aq),kegg:C00158,[],,,chebi:16947,pubchem:3458,,https://rest.kegg.jp/get/:/image -CoA(aq),kegg:C00010,[],,,chebi:15346,pubchem:3312,,https://rest.kegg.jp/get/:/image -carbon dioxide(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image -isocitrate(aq),kegg:C00311,[],,,chebi:16087,pubchem:3605,,https://rest.kegg.jp/get/:/image -6-phospho-D-gluconate(aq),kegg:C00345,[],,,chebi:48928,pubchem:3638,,https://rest.kegg.jp/get/:/image -D-ribulose 5-phosphate(aq),kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/:/image --D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/:/image -"D-glucono-1,5-lactone(aq)",kegg:C00198,[],,,chebi:16217,pubchem:3498,,https://rest.kegg.jp/get/:/image -D-galactose(aq),kegg:C00124,[],,,chebi:4139,pubchem:3424,,https://rest.kegg.jp/get/:/image -"D-galactono-1,4-lactone(aq)",kegg:C03383,[],,,chebi:15895,pubchem:6218,,https://rest.kegg.jp/get/:/image -D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image -"D-glucono-1,5-lactone 6-phosphate(aq)",kegg:C01236,[],,,chebi:16938,pubchem:4457,,https://rest.kegg.jp/get/:/image +(S)-lactate(aq),kegg:C00186,[],,,chebi:16651,pubchem:3486,,https://rest.kegg.jp/get/C00186/image +pyruvate(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/C00022/image +(R)-lactate(aq),kegg:C00256,[],,,chebi:16004,pubchem:3555,,https://rest.kegg.jp/get/C00256/image +(R)-3-hydroxybutanoate(aq),kegg:C01089,[],,,chebi:10983,pubchem:4324,,https://rest.kegg.jp/get/C01089/image +3-oxobutanoate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/C00164/image +3-hydroxy-2-methylpropanoate(aq),kegg:C01188,[],,,chebi:11805,pubchem:4414,,https://rest.kegg.jp/get/C01188/image +2-methyl-3-oxopropanoate(aq),kegg:C00349,[],,,chebi:16256,pubchem:3642,,https://rest.kegg.jp/get/C00349/image +(S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image +3-oxobutanoyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/C00332/image +(S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,,https://rest.kegg.jp/get/C05268/image +3-oxohexanoyl-CoA(aq),kegg:C05269,[],,,chebi:27648,pubchem:7656,,https://rest.kegg.jp/get/C05269/image +(S)-malate(aq),kegg:C00149,[],,,chebi:15589,pubchem:3449,,https://rest.kegg.jp/get/C00149/image +oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,,https://rest.kegg.jp/get/C00036/image +meso-tartrate(aq),kegg:C00552,[],,,chebi:15673,pubchem:3833,,https://rest.kegg.jp/get/C00552/image +(E)-dihydroxyfumarate(aq),kegg:C00975,[],,,chebi:17795,pubchem:4224,,https://rest.kegg.jp/get/C00975/image +2-oxo-3-hydroxysuccinate(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/C03459/image +L-glutamate(aq),kegg:C00025,[],,,chebi:16015,pubchem:3327,,https://rest.kegg.jp/get/C00025/image +L-aspartate(aq),kegg:C00049,[],,,chebi:17053,pubchem:3351,,https://rest.kegg.jp/get/C00049/image +2-oxoglutarate(aq),kegg:C00026,[],,,chebi:16810,pubchem:3328,,https://rest.kegg.jp/get/C00026/image +acetyl-CoA(aq),kegg:C00024,[],,,chebi:15351,pubchem:3326,,https://rest.kegg.jp/get/C00024/image +H2O(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/C00001/image +citrate(aq),kegg:C00158,[],,,chebi:16947,pubchem:3458,,https://rest.kegg.jp/get/C00158/image +CoA(aq),kegg:C00010,[],,,chebi:15346,pubchem:3312,,https://rest.kegg.jp/get/C00010/image +carbon dioxide(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/C00288/image +isocitrate(aq),kegg:C00311,[],,,chebi:16087,pubchem:3605,,https://rest.kegg.jp/get/C00311/image +6-phospho-D-gluconate(aq),kegg:C00345,[],,,chebi:48928,pubchem:3638,,https://rest.kegg.jp/get/C00345/image +D-ribulose 5-phosphate(aq),kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/C00199/image +-D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/C00031/image +"D-glucono-1,5-lactone(aq)",kegg:C00198,[],,,chebi:16217,pubchem:3498,,https://rest.kegg.jp/get/C00198/image +D-galactose(aq),kegg:C00124,[],,,chebi:4139,pubchem:3424,,https://rest.kegg.jp/get/C00124/image +"D-galactono-1,4-lactone(aq)",kegg:C03383,[],,,chebi:15895,pubchem:6218,,https://rest.kegg.jp/get/C03383/image +D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image +"D-glucono-1,5-lactone 6-phosphate(aq)",kegg:C01236,[],,,chebi:16938,pubchem:4457,,https://rest.kegg.jp/get/C01236/image 5α-androstane-3α-ol-17-one(aq),,[],,,,,, "5α-androstane-3,17-dione(aq)",,[],,,,,, "5α-androstane-3α,17β-diol(aq)",,[],,,,,, @@ -126,60 +126,60 @@ TNADH(aq),,[],,,,,, "5β-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, "5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", 5alpha-androstane-17alpha-ol-3-one(aq),,[],,,,,, -4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/:/image -"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/:/image +4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/C00535/image +"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/C00280/image "5α-pregnane-3β,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5α-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/:/image -L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/:/image -3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/:/image -3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/:/image -2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/:/image -4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/:/image -4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/:/image -estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/:/image -estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/:/image -D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/:/image +"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/C00583/image +L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/C01013/image +3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C00222/image +2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C01146/image +4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/C00989/image +4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/C00232/image +estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/C00951/image +estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/C00468/image +D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/C00257/image 5-oxo-D-gluconate(aq),,[],,,,,, -(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/:/image -3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/:/image -3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image -"-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/:/image -"-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/:/image -3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/:/image -3-hydroxybenzaldehyde(aq),kegg:C03067,[],,,chebi:16207,pubchem:5967,,https://rest.kegg.jp/get/:/image -(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq),kegg:C04618,[],,,,pubchem:7208,,https://rest.kegg.jp/get/:/image +(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/C00577/image +3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00197/image +3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +"-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/C04367/image +"-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/C01244/image +3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/C03351/image +3-hydroxybenzaldehyde(aq),kegg:C03067,[],,,chebi:16207,pubchem:5967,,https://rest.kegg.jp/get/C03067/image +(3R)-3-hydroxybutanoyl-[acyl-carrier protein](aq),kegg:C04618,[],,,,pubchem:7208,,https://rest.kegg.jp/get/C04618/image 3-oxobutanoyl-[acyl-carrier protein](aq),,[],,,,,, -L-carnitine(aq),kegg:C00318,[],,,chebi:16347,pubchem:3612,,https://rest.kegg.jp/get/:/image -3-dehydrocarnitine(aq),kegg:C02636,[],,,chebi:16758,pubchem:5616,,https://rest.kegg.jp/get/:/image -indole-3-lactate(aq),kegg:C02043,[],,,chebi:17282,pubchem:5133,,https://rest.kegg.jp/get/:/image -indole-3-pyruvate(aq),kegg:C00331,[],,,chebi:29750,pubchem:3625,,https://rest.kegg.jp/get/:/image -D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/:/image -5-dehydro-D-fructose(aq),kegg:C00273,[],,,chebi:17011,pubchem:3571,,https://rest.kegg.jp/get/:/image -2-deoxy-D-gluconate(aq),kegg:C02782,[],,,chebi:16138,pubchem:5733,,https://rest.kegg.jp/get/:/image -2-deoxy-3-dehydro-D-gluconate(aq),kegg:C03926,[],,,chebi:16622,pubchem:6654,,https://rest.kegg.jp/get/:/image -L-threonate(aq),kegg:C01620,[],,,chebi:49060,pubchem:4772,,https://rest.kegg.jp/get/:/image -3-oxo-L-threonate(aq),kegg:C03064,[],,,chebi:16943,pubchem:5964,,https://rest.kegg.jp/get/:/image -D-sorbitol 6-phosphate(aq),kegg:C01096,[],,,chebi:17044,pubchem:4331,,https://rest.kegg.jp/get/:/image -prostaglandin E1(aq),kegg:C04741,[],,,chebi:15544,pubchem:7312,,https://rest.kegg.jp/get/:/image -15-oxo-prostaglandin E1(aq),kegg:C04654,[],,,chebi:15548,pubchem:7240,,https://rest.kegg.jp/get/:/image +L-carnitine(aq),kegg:C00318,[],,,chebi:16347,pubchem:3612,,https://rest.kegg.jp/get/C00318/image +3-dehydrocarnitine(aq),kegg:C02636,[],,,chebi:16758,pubchem:5616,,https://rest.kegg.jp/get/C02636/image +indole-3-lactate(aq),kegg:C02043,[],,,chebi:17282,pubchem:5133,,https://rest.kegg.jp/get/C02043/image +indole-3-pyruvate(aq),kegg:C00331,[],,,chebi:29750,pubchem:3625,,https://rest.kegg.jp/get/C00331/image +D-glucose(aq),kegg:C00031,"['-D-glucose(aq)', 'D-glucose(aq)']",,,chebi:4167,pubchem:3333,,https://rest.kegg.jp/get/C00031/image +5-dehydro-D-fructose(aq),kegg:C00273,[],,,chebi:17011,pubchem:3571,,https://rest.kegg.jp/get/C00273/image +2-deoxy-D-gluconate(aq),kegg:C02782,[],,,chebi:16138,pubchem:5733,,https://rest.kegg.jp/get/C02782/image +2-deoxy-3-dehydro-D-gluconate(aq),kegg:C03926,[],,,chebi:16622,pubchem:6654,,https://rest.kegg.jp/get/C03926/image +L-threonate(aq),kegg:C01620,[],,,chebi:49060,pubchem:4772,,https://rest.kegg.jp/get/C01620/image +3-oxo-L-threonate(aq),kegg:C03064,[],,,chebi:16943,pubchem:5964,,https://rest.kegg.jp/get/C03064/image +D-sorbitol 6-phosphate(aq),kegg:C01096,[],,,chebi:17044,pubchem:4331,,https://rest.kegg.jp/get/C01096/image +prostaglandin E1(aq),kegg:C04741,[],,,chebi:15544,pubchem:7312,,https://rest.kegg.jp/get/C04741/image +15-oxo-prostaglandin E1(aq),kegg:C04654,[],,,chebi:15548,pubchem:7240,,https://rest.kegg.jp/get/C04654/image "4-pregnene-11β,17α,21-triol-3,20-dione(aq)",,[],,,,,, "4-pregnene-11β,17α-diol-3,20,21-trione( aq)",,[],,,,,, -"7,8-dihydrobiopterin(aq)",kegg:C02953,[],,,chebi:64277,pubchem:5871,,https://rest.kegg.jp/get/:/image -sepiapterin(aq),kegg:C00835,[],,,chebi:16095,pubchem:4093,,https://rest.kegg.jp/get/:/image -coniferyl alcohol(aq),kegg:C00590,[],,,chebi:17745,pubchem:3869,,https://rest.kegg.jp/get/:/image -coniferyl aldehyde(aq),kegg:C02666,[],,,chebi:16547,pubchem:5637,,https://rest.kegg.jp/get/:/image -(R)-2-hydroxyglutarate(aq),kegg:C01087,[],,,chebi:15801,pubchem:4322,,https://rest.kegg.jp/get/:/image -2-oxo-D-gluconate(aq),kegg:C06473,[],,,chebi:27469,pubchem:8705,,https://rest.kegg.jp/get/:/image -lactose(aq),kegg:C00243,[],,,chebi:17716,pubchem:3542,,https://rest.kegg.jp/get/:/image -cytochrome c(aq),4 kegg:C00125,[],,,chebi:15991,pubchem:3425,,https://rest.kegg.jp/get/:/image -3-oxolactose(aq),kegg:C05403,[],,,chebi:27571,pubchem:7770,,https://rest.kegg.jp/get/:/image -reduced cytochrome c(aq),4 kegg:C00126,[],,,chebi:16928,pubchem:3426,,https://rest.kegg.jp/get/:/image -formate(aq),kegg:C00058,[],,,chebi:15740,pubchem:3358,,https://rest.kegg.jp/get/:/image -orthophosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image -L-4-aspartyl phosphate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/:/image -L-aspartate-4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,,https://rest.kegg.jp/get/:/image -D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/:/image +"7,8-dihydrobiopterin(aq)",kegg:C02953,[],,,chebi:64277,pubchem:5871,,https://rest.kegg.jp/get/C02953/image +sepiapterin(aq),kegg:C00835,[],,,chebi:16095,pubchem:4093,,https://rest.kegg.jp/get/C00835/image +coniferyl alcohol(aq),kegg:C00590,[],,,chebi:17745,pubchem:3869,,https://rest.kegg.jp/get/C00590/image +coniferyl aldehyde(aq),kegg:C02666,[],,,chebi:16547,pubchem:5637,,https://rest.kegg.jp/get/C02666/image +(R)-2-hydroxyglutarate(aq),kegg:C01087,[],,,chebi:15801,pubchem:4322,,https://rest.kegg.jp/get/C01087/image +2-oxo-D-gluconate(aq),kegg:C06473,[],,,chebi:27469,pubchem:8705,,https://rest.kegg.jp/get/C06473/image +lactose(aq),kegg:C00243,[],,,chebi:17716,pubchem:3542,,https://rest.kegg.jp/get/C00243/image +cytochrome c(aq),4 kegg:C00125,[],,,chebi:15991,pubchem:3425,,https://rest.kegg.jp/get/C00125/image +3-oxolactose(aq),kegg:C05403,[],,,chebi:27571,pubchem:7770,,https://rest.kegg.jp/get/C05403/image +reduced cytochrome c(aq),4 kegg:C00126,[],,,chebi:16928,pubchem:3426,,https://rest.kegg.jp/get/C00126/image +formate(aq),kegg:C00058,[],,,chebi:15740,pubchem:3358,,https://rest.kegg.jp/get/C00058/image +orthophosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/C00009/image +L-4-aspartyl phosphate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/C03082/image +L-aspartate-4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,,https://rest.kegg.jp/get/C00441/image +D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/C00118/image (aminomethyl)phosphoate(aq),,[],,,,,, (3-phospho-D-glyceroyl-animomethyl)phosphate(aq),,[],,,,,, (chloroethyl)phosphoate(aq),,[],,,,,, @@ -192,99 +192,99 @@ D-glyceraldehyde 3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq) (3-phospho-D-glyceroyl-methoxy)phosphate(aq),,[],,,,,, (methyl)phosphoate(aq),,[],,,,,, (3-phospho-D-glyceroyl-methyl)phosphate(aq),,[],,,,,, -3-phospho-D-glyceroyl phosphate(aq),kegg:C00236,[],,,chebi:16001,pubchem:3535,,https://rest.kegg.jp/get/:/image +3-phospho-D-glyceroyl phosphate(aq),kegg:C00236,[],,,chebi:16001,pubchem:3535,,https://rest.kegg.jp/get/C00236/image phosphonate(aq),,[],,,,,, (3-phospho-D-glyceroyl)phosphonate(aq),,[],,,,,, -ADP(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/:/image -ATP(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image -oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/get/:/image -succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/:/image -O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image -fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/:/image -(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/:/image -orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/:/image -L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/:/image -ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/:/image -L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/:/image -4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/:/image +ADP(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/C00008/image +ATP(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/C00002/image +oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/get/C00313/image +succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/C00042/image +O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/C00007/image +fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/C00122/image +(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/C00337/image +orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/C00295/image +L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/C00041/image +ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/C00014/image +L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/C00123/image +4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C00233/image glycine(ag),,[],,,,,images/rdkit/glycine(ag).gif, -"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/:/image -(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/:/image -"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/:/image -2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/:/image -(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/:/image -D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/:/image -D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/:/image -"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/:/image -folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/:/image -"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image -"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image -"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/:/image -N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/:/image -L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/:/image -"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/:/image +"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01186/image +(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/C03656/image +"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C03341/image +(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/C00148/image +D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/C03564/image +D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/C03912/image +"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/C00415/image +folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/C00504/image +"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00101/image +"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00143/image +"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00445/image +N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/C04137/image +L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/C00062/image +"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/C03210/image 2-methyliminodiacetatc(aq),,[],,,,,, H20(l),,[],,,,,, -glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/:/image -L-pipecolate(aq),kegg:C00408,[],,,chebi:30633,pubchem:3698,,https://rest.kegg.jp/get/:/image -D-1-piperidine-2-carboxylate(aq),kegg:C04092,[],,,chebi:30912,pubchem:6784,,https://rest.kegg.jp/get/:/image -reduced glutathione(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image -oxidized glutathione(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/:/image -reduced thioredoxin(aq),kegg:C00342,[],,,chebi:15033,pubchem:3635,,https://rest.kegg.jp/get/:/image -oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest.kegg.jp/get/:/image -5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/:/image -flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/:/image -reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/:/image -dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/:/image -lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/:/image -dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/:/image --lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/:/image -CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/:/image -H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/:/image -betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/:/image -L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/:/image -"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/:/image -L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/:/image -dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/:/image -S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/:/image +glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/C00037/image +L-pipecolate(aq),kegg:C00408,[],,,chebi:30633,pubchem:3698,,https://rest.kegg.jp/get/C00408/image +D-1-piperidine-2-carboxylate(aq),kegg:C04092,[],,,chebi:30912,pubchem:6784,,https://rest.kegg.jp/get/C04092/image +reduced glutathione(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/C00051/image +oxidized glutathione(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/C00127/image +reduced thioredoxin(aq),kegg:C00342,[],,,chebi:15033,pubchem:3635,,https://rest.kegg.jp/get/C00342/image +oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest.kegg.jp/get/C00343/image +5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/C00440/image +flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/C00016/image +reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/C01352/image +dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/C00579/image +lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/C00248/image +dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/C02147/image +-lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/C00725/image +CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/C00920/image +H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/C00282/image +betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/C00719/image +L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/C00155/image +"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/C01026/image +L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/C00073/image +dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/C03392/image +S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/C03173/image dimethylpropiothetin(aq),,[],,,,,images/rdkit/dimethylpropiothetin(aq).gif, S-methyltpropiothetin(aq),,[],,,,,, S-methylmethionine(aq),,[],,,,,, -trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/:/image -dimethylsulfide(aq),kegg:C00580,[],,,chebi:17437,pubchem:3859,,https://rest.kegg.jp/get/:/image -S-adenosyl-L-methionine(aq),kegg:C00019,[],,,chebi:67040,pubchem:3321,,https://rest.kegg.jp/get/:/image -S-adenosyl-L-homocysteine(aq),kegg:C00021,[],,,chebi:16680,pubchem:3323,,https://rest.kegg.jp/get/:/image -dUMP(aq),kegg:C00365,[],,,chebi:17622,pubchem:3656,,https://rest.kegg.jp/get/:/image -dihydrofolate(aq),kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,,https://rest.kegg.jp/get/:/image -dTMP(aq),kegg:C00364,[],,,chebi:17013,pubchem:3655,,https://rest.kegg.jp/get/:/image -L-threonine(aq),kegg:C00188,[],,,chebi:16857,pubchem:3488,,https://rest.kegg.jp/get/:/image -formaldehyde(aq),kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/:/image -L-serine(aq),kegg:C00065,[],,,chebi:17115,pubchem:3365,,https://rest.kegg.jp/get/:/image -tetrahydrofolate(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image -5-formiminotetrahydrofolate(aq),kegg:C00664,[],,,chebi:15639,pubchem:3933,,https://rest.kegg.jp/get/:/image -N-formiminoglycine(aq),kegg:C02718,[],,,chebi:18415,pubchem:5681,,https://rest.kegg.jp/get/:/image -N-formimino-L-glutamate(aq),kegg:C00439,[],,,chebi:18327,pubchem:3728,,https://rest.kegg.jp/get/:/image -2-hydroxymethylserine(aq),kegg:C03059,[],,,chebi:28187,pubchem:5959,,https://rest.kegg.jp/get/:/image -D-serine(aq),kegg:C00740,[],,,chebi:16523,pubchem:4003,,https://rest.kegg.jp/get/:/image -2-methylserine(aq),kegg:C02115,[],,,chebi:74819,pubchem:5195,,https://rest.kegg.jp/get/:/image -D-alanine(aq),kegg:C00133,[],,,chebi:15570,pubchem:3433,,https://rest.kegg.jp/get/:/image -propanoyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/:/image -methylmalonyl-CoA(aq),kegg:C02557,[],,,chebi:16625,pubchem:5558,,https://rest.kegg.jp/get/:/image -carbamoyl phosphate(aq),kegg:C00169,[],,,chebi:17672,pubchem:3469,,https://rest.kegg.jp/get/:/image -L-ornithine(aq),kegg:C00077,[],,,chebi:15729,pubchem:3377,,https://rest.kegg.jp/get/:/image -L-citrulline(aq),kegg:C00327,[],,,chebi:16349,pubchem:3621,,https://rest.kegg.jp/get/:/image -guanidinoacetate(aq),kegg:C00581,[],,,chebi:16344,pubchem:3860,,https://rest.kegg.jp/get/:/image -D-erythrose 4-phosphate(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/:/image -D-xylulose 5-phosphate(aq),kegg:C00231,[],,,chebi:16332,pubchem:3530,,https://rest.kegg.jp/get/:/image -D-erythrose 4-phospahte(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/:/image -glycolaldehyde(aq),kegg:C00266,[],,,chebi:17071,pubchem:3564,,https://rest.kegg.jp/get/:/image -sedoheptulose 7-phosphate(aq),kegg:C05382,[],,,chebi:15721,pubchem:7756,,https://rest.kegg.jp/get/:/image -D-ribose 5-phosphate(aq),kegg:C00117,[],,,chebi:17797,pubchem:3417,,https://rest.kegg.jp/get/:/image -D-glyceraldehyde-3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/:/image -D-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,,https://rest.kegg.jp/get/:/image -acetyl phosphate(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/:/image -imidazole(aq),kegg:C01589,[],,,chebi:16069,pubchem:4744,,https://rest.kegg.jp/get/:/image -N-acetylimidazole(aq),kegg:C02560,[],,,chebi:16984,pubchem:5560,,https://rest.kegg.jp/get/:/image +trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/C01008/image +dimethylsulfide(aq),kegg:C00580,[],,,chebi:17437,pubchem:3859,,https://rest.kegg.jp/get/C00580/image +S-adenosyl-L-methionine(aq),kegg:C00019,[],,,chebi:67040,pubchem:3321,,https://rest.kegg.jp/get/C00019/image +S-adenosyl-L-homocysteine(aq),kegg:C00021,[],,,chebi:16680,pubchem:3323,,https://rest.kegg.jp/get/C00021/image +dUMP(aq),kegg:C00365,[],,,chebi:17622,pubchem:3656,,https://rest.kegg.jp/get/C00365/image +dihydrofolate(aq),kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,,https://rest.kegg.jp/get/C00415/image +dTMP(aq),kegg:C00364,[],,,chebi:17013,pubchem:3655,,https://rest.kegg.jp/get/C00364/image +L-threonine(aq),kegg:C00188,[],,,chebi:16857,pubchem:3488,,https://rest.kegg.jp/get/C00188/image +formaldehyde(aq),kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/C00067/image +L-serine(aq),kegg:C00065,[],,,chebi:17115,pubchem:3365,,https://rest.kegg.jp/get/C00065/image +tetrahydrofolate(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/C00101/image +5-formiminotetrahydrofolate(aq),kegg:C00664,[],,,chebi:15639,pubchem:3933,,https://rest.kegg.jp/get/C00664/image +N-formiminoglycine(aq),kegg:C02718,[],,,chebi:18415,pubchem:5681,,https://rest.kegg.jp/get/C02718/image +N-formimino-L-glutamate(aq),kegg:C00439,[],,,chebi:18327,pubchem:3728,,https://rest.kegg.jp/get/C00439/image +2-hydroxymethylserine(aq),kegg:C03059,[],,,chebi:28187,pubchem:5959,,https://rest.kegg.jp/get/C03059/image +D-serine(aq),kegg:C00740,[],,,chebi:16523,pubchem:4003,,https://rest.kegg.jp/get/C00740/image +2-methylserine(aq),kegg:C02115,[],,,chebi:74819,pubchem:5195,,https://rest.kegg.jp/get/C02115/image +D-alanine(aq),kegg:C00133,[],,,chebi:15570,pubchem:3433,,https://rest.kegg.jp/get/C00133/image +propanoyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/C00100/image +methylmalonyl-CoA(aq),kegg:C02557,[],,,chebi:16625,pubchem:5558,,https://rest.kegg.jp/get/C02557/image +carbamoyl phosphate(aq),kegg:C00169,[],,,chebi:17672,pubchem:3469,,https://rest.kegg.jp/get/C00169/image +L-ornithine(aq),kegg:C00077,[],,,chebi:15729,pubchem:3377,,https://rest.kegg.jp/get/C00077/image +L-citrulline(aq),kegg:C00327,[],,,chebi:16349,pubchem:3621,,https://rest.kegg.jp/get/C00327/image +guanidinoacetate(aq),kegg:C00581,[],,,chebi:16344,pubchem:3860,,https://rest.kegg.jp/get/C00581/image +D-erythrose 4-phosphate(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/C00279/image +D-xylulose 5-phosphate(aq),kegg:C00231,[],,,chebi:16332,pubchem:3530,,https://rest.kegg.jp/get/C00231/image +D-erythrose 4-phospahte(aq),kegg:C00279,"['D-erythrose 4-phosphate(aq)', 'D-erythrose 4-phospahte(aq)']",,,chebi:48153,pubchem:3574,,https://rest.kegg.jp/get/C00279/image +glycolaldehyde(aq),kegg:C00266,[],,,chebi:17071,pubchem:3564,,https://rest.kegg.jp/get/C00266/image +sedoheptulose 7-phosphate(aq),kegg:C05382,[],,,chebi:15721,pubchem:7756,,https://rest.kegg.jp/get/C05382/image +D-ribose 5-phosphate(aq),kegg:C00117,[],,,chebi:17797,pubchem:3417,,https://rest.kegg.jp/get/C00117/image +D-glyceraldehyde-3-phosphate(aq),kegg:C00118,"['D-glyceraldehyde 3-phosphate(aq)', 'D-glyceraldehyde-3-phosphate(aq)']",,,chebi:29052,pubchem:3418,,https://rest.kegg.jp/get/C00118/image +D-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,,https://rest.kegg.jp/get/C00577/image +acetyl phosphate(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/C00227/image +imidazole(aq),kegg:C01589,[],,,chebi:16069,pubchem:4744,,https://rest.kegg.jp/get/C01589/image +N-acetylimidazole(aq),kegg:C02560,[],,,chebi:16984,pubchem:5560,,https://rest.kegg.jp/get/C02560/image 4-aminoazobenzene-4'-sulfonic acid(aq),,[],,,,,, acetanilide(aq),,[],,,,,, N-acetyl-4-aminoazobenzene-4'-sulfonic acid(aq),,[],,,,,, @@ -305,111 +305,111 @@ p-toluidine(aq),,[],,,,,images/rdkit/p-toluidine(aq).gif, 4'-nitroaniline(aq),,[],,,,,, "α,α,α-trifluoro-m-acetanilide(aq)",,[],,,,,, "α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", -choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/:/image -O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/:/image -L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/:/image +choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/C00114/image +O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/C01996/image +L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/C02571/image butyryl-CoA(aq),,[],,,,,images/rdkit/butyryl-CoA(aq).gif, L-butyrylcarnitine(aq),,[],,,,,, -propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/:/image -formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/:/image -acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/:/image -orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image -acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/:/image -palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/:/image -L-palmitoylcarnitine(aq),kegg:C02990,[],,,chebi:17490,pubchem:5899,,https://rest.kegg.jp/get/:/image -N-2-acetyl-L-ornithine(aq),kegg:C00437,[],,,chebi:16543,pubchem:3726,,https://rest.kegg.jp/get/:/image -N-acetyl-L-glutamate(aq),kegg:C00624,[],,,chebi:44337,pubchem:3897,,https://rest.kegg.jp/get/:/image -acyl-carrier protein(aq),kegg:C00229,[],,,chebi:18359,pubchem:3528,,https://rest.kegg.jp/get/:/image -acetyl-[acyl-carrier protein](aq),kegg:C03939,[],,,chebi:17093,pubchem:6663,,https://rest.kegg.jp/get/:/image -malonyl-CoA(aq),kegg:C00083,[],,,chebi:15531,pubchem:3383,,https://rest.kegg.jp/get/:/image -malonyl-[acyl-carrier protein](aq),kegg:C01209,[],,,chebi:17330,pubchem:4431,,https://rest.kegg.jp/get/:/image -sucrose(aq),kegg:C00089,[],,,chebi:17992,pubchem:3389,,https://rest.kegg.jp/get/:/image --D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/:/image -maltose(aq),kegg:C00208,[],,,chebi:17306,pubchem:3508,,https://rest.kegg.jp/get/:/image -D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/:/image +propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/C00100/image +L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/C03017/image +formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/C00798/image +formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/C02405/image +acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/C00033/image +orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/C00009/image +acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/C00332/image +palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/C00154/image +L-palmitoylcarnitine(aq),kegg:C02990,[],,,chebi:17490,pubchem:5899,,https://rest.kegg.jp/get/C02990/image +N-2-acetyl-L-ornithine(aq),kegg:C00437,[],,,chebi:16543,pubchem:3726,,https://rest.kegg.jp/get/C00437/image +N-acetyl-L-glutamate(aq),kegg:C00624,[],,,chebi:44337,pubchem:3897,,https://rest.kegg.jp/get/C00624/image +acyl-carrier protein(aq),kegg:C00229,[],,,chebi:18359,pubchem:3528,,https://rest.kegg.jp/get/C00229/image +acetyl-[acyl-carrier protein](aq),kegg:C03939,[],,,chebi:17093,pubchem:6663,,https://rest.kegg.jp/get/C03939/image +malonyl-CoA(aq),kegg:C00083,[],,,chebi:15531,pubchem:3383,,https://rest.kegg.jp/get/C00083/image +malonyl-[acyl-carrier protein](aq),kegg:C01209,[],,,chebi:17330,pubchem:4431,,https://rest.kegg.jp/get/C01209/image +sucrose(aq),kegg:C00089,[],,,chebi:17992,pubchem:3389,,https://rest.kegg.jp/get/C00089/image +-D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/C00103/image +maltose(aq),kegg:C00208,[],,,chebi:17306,pubchem:3508,,https://rest.kegg.jp/get/C00208/image +D-glucose 1-phosphate(aq),kegg:C00103,"['-D-glucose 1-phosphate(aq)', 'D-glucose 1-phosphate(aq)']",,,chebi:29042,pubchem:3403,,https://rest.kegg.jp/get/C00103/image "(2,6-beta-D-fructosyl)n(aq)",,[],,,,,, "(2,6-beta-D-fructosyl)n+1(aq)",,[],,,,,, -ADPglucose(aq),kegg:C00498,[],,,chebi:15751,pubchem:3781,,https://rest.kegg.jp/get/:/image -UDPglucose(aq),kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/:/image -UDP(aq),2 kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/:/image -sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https://rest.kegg.jp/get/:/image -UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/:/image -D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image -UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/:/image -"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/:/image +ADPglucose(aq),kegg:C00498,[],,,chebi:15751,pubchem:3781,,https://rest.kegg.jp/get/C00498/image +UDPglucose(aq),kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/C00029/image +UDP(aq),2 kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/C00015/image +sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https://rest.kegg.jp/get/C16688/image +UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/C00029/image +D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image +UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/C00015/image +"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/C00689/image cycloheptaamylose(aq),,[],,,,,images/rdkit/cycloheptaamylose(aq).gif, cyclohexaamylose(aq),,[],,,,,images/rdkit/cyclohexaamylose(aq).gif, cyclooctaamylose(aq),,[],,,,,images/rdkit/cyclooctaamylose(aq).gif, -cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/:/image -cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/:/image -laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/:/image +cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/C00185/image +cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/C06219/image +laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/C02048/image laminaritetraose(aq),,[],,,,,, laminaritriose(aq),,[],,,,,, alpha-D-glucose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, -",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/:/image -1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/:/image -raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/:/image -myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/:/image -stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/:/image -sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/:/image -1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/:/image -adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/:/image -adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/:/image -D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/:/image -hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/:/image -2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/:/image -guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/:/image -guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/:/image -inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/:/image +",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/C01083/image +1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/C01235/image +raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/C00492/image +myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/C00137/image +stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/C01613/image +sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/C00482/image +1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/C01175/image +adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/C00212/image +adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/C00147/image +D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00620/image +2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/C05512/image +hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/C00262/image +2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/C00672/image +guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/C00387/image +guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/C00242/image +inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/C00294/image alpha-D-ribose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, -nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/:/image -nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/:/image -xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/:/image -xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/:/image -thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/:/image +nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/C00153/image +nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/C03150/image +xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/C01762/image +xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/C00385/image +thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/C00178/image 5-methyluridine(aq),,[],,,,,images/rdkit/5-methyluridine(aq).gif, alpha-D-ribose-1-phosphate,,[],,,,,images/rdkit/alpha-D-ribose-1-phosphate.gif, -uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/:/image -uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/:/image -thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/:/image -2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/:/image -5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/:/image -AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/:/image -pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/:/image +uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/C00299/image +uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/C00106/image +thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/C00214/image +2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/C00559/image +5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/C00119/image +AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/C00020/image +pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/C00013/image 5-amino-4-imidazolecarboxamide(aq),,[],,,,,images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, 5-phospho-alpha-D-ribose 1-dipihosphate(aq),,[],,,,,, 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq),,[],,,,,, -GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/:/image -IMP(aq),kegg:C00130,[],,,chebi:17202,pubchem:3430,,https://rest.kegg.jp/get/:/image -orotidine 5'-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/:/image +GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/C00144/image +IMP(aq),kegg:C00130,[],,,chebi:17202,pubchem:3430,,https://rest.kegg.jp/get/C00130/image +orotidine 5'-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/C01103/image thiopyrophosphate(aq),,[],,,,,, phosphoribosyl-1-O-(2-thiodiphosphate)(aq),,[],,,,,, thiamine(aq),,[],,,,,, 4-methyl-5-(2'-hydroxyethyl)-thiazole(aq),,[],,,,,, heteroanilithiamine(aq),,[],,,,,, heteronicotinathiamine(aq),,[],,,,,, -2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq),kegg:C04752,[],,,chebi:16629,pubchem:7322,,https://rest.kegg.jp/get/:/image -4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq),kegg:C04327,[],,,chebi:17857,pubchem:6980,,https://rest.kegg.jp/get/:/image -thiamine monophosphate(aq),kegg:C01081,[],,,chebi:9533,pubchem:4319,,https://rest.kegg.jp/get/:/image -erythro-3-hydroxyaspartate(aq),kegg:C19838,[],,,,pubchem:135626305,,https://rest.kegg.jp/get/:/image -2-oxo-3-hydroxybutanedioic acid(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/:/image -L-histidinol phosphate(aq),kegg:C01100,[],,,chebi:16996,pubchem:4334,,https://rest.kegg.jp/get/:/image -3-(imidazol-4-yl)-2-oxopropyl phosphate(aq),kegg:C01267,[],,,chebi:16426,pubchem:4486,,https://rest.kegg.jp/get/:/image -DL-D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/:/image -L-glutamine(aq),kegg:C00064,[],,,chebi:18050,pubchem:3364,,https://rest.kegg.jp/get/:/image -2-oxoglutaramate(aq),kegg:C00940,[],,,chebi:16769,pubchem:4192,,https://rest.kegg.jp/get/:/image +2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate(aq),kegg:C04752,[],,,chebi:16629,pubchem:7322,,https://rest.kegg.jp/get/C04752/image +4-methyl-5-(2-phosphonoxyethyl)-thiazole(aq),kegg:C04327,[],,,chebi:17857,pubchem:6980,,https://rest.kegg.jp/get/C04327/image +thiamine monophosphate(aq),kegg:C01081,[],,,chebi:9533,pubchem:4319,,https://rest.kegg.jp/get/C01081/image +erythro-3-hydroxyaspartate(aq),kegg:C19838,[],,,,pubchem:135626305,,https://rest.kegg.jp/get/C19838/image +2-oxo-3-hydroxybutanedioic acid(aq),kegg:C03459,"['2-oxo-3-hydroxysuccinate(aq)', '2-oxo-3-hydroxybutanedioic acid(aq)']",,,chebi:17778,pubchem:6279,,https://rest.kegg.jp/get/C03459/image +L-histidinol phosphate(aq),kegg:C01100,[],,,chebi:16996,pubchem:4334,,https://rest.kegg.jp/get/C01100/image +3-(imidazol-4-yl)-2-oxopropyl phosphate(aq),kegg:C01267,[],,,chebi:16426,pubchem:4486,,https://rest.kegg.jp/get/C01267/image +DL-D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/C03912/image +L-glutamine(aq),kegg:C00064,[],,,chebi:18050,pubchem:3364,,https://rest.kegg.jp/get/C00064/image +2-oxoglutaramate(aq),kegg:C00940,[],,,chebi:16769,pubchem:4192,,https://rest.kegg.jp/get/C00940/image 2-oxo-4-methiolbutyrate(aq),,[],,,,,, -N-succinyl-2-L-amino-6-oxoheptanedioate(aq),kegg:C04462,[],,,chebi:15685,pubchem:7087,,https://rest.kegg.jp/get/:/image -"N-succinyl-L-2,6-diaminoheptanedioate(aq)",kegg:C04421,[],,,chebi:17279,pubchem:7053,,https://rest.kegg.jp/get/:/image -L-alanine,kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,,https://rest.kegg.jp/get/:/image -3-oxopropanoate,kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,,https://rest.kegg.jp/get/:/image -beta-alanine,kegg:C00099,[],,,chebi:16958,pubchem:3399,,https://rest.kegg.jp/get/:/image -pyruvate,kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/:/image -4-aminobutanoate(aq),kegg:C00334,[],,,chebi:30566,pubchem:3628,,https://rest.kegg.jp/get/:/image -D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/get/:/image +N-succinyl-2-L-amino-6-oxoheptanedioate(aq),kegg:C04462,[],,,chebi:15685,pubchem:7087,,https://rest.kegg.jp/get/C04462/image +"N-succinyl-L-2,6-diaminoheptanedioate(aq)",kegg:C04421,[],,,chebi:17279,pubchem:7053,,https://rest.kegg.jp/get/C04421/image +L-alanine,kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,,https://rest.kegg.jp/get/C00041/image +3-oxopropanoate,kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,,https://rest.kegg.jp/get/C00222/image +beta-alanine,kegg:C00099,[],,,chebi:16958,pubchem:3399,,https://rest.kegg.jp/get/C00099/image +pyruvate,kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,,https://rest.kegg.jp/get/C00022/image +4-aminobutanoate(aq),kegg:C00334,[],,,chebi:30566,pubchem:3628,,https://rest.kegg.jp/get/C00334/image +D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/get/C00217/image 5-deoxypyridoxamine(aq),,[],,,,,, 5-deoxypyridoxal(aq),,[],,,,,, 3-hydroxy-4-aminomethylpyridine(aq),,[],,,,,, @@ -418,102 +418,102 @@ D-glutamate(aq),kegg:C00217,[],,,chebi:15966,pubchem:3517,,https://rest.kegg.jp/ ω-methylpyridoxal(aq),,[],,,,,, norpyridoxamine(aq),,[],,,,,, norpyridoxal(aq),,[],,,,,, -pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/:/image -pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/:/image -"dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/:/image -dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/:/image -L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/:/image -2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/:/image -3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/:/image -O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/:/image +pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/C00534/image +pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/C00250/image +"dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/C04268/image +dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/C11907/image +L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/C00956/image +2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/C00322/image +3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/C01005/image 6-amino-D-glucose(aq),,[],,,,,images/rdkit/6-amino-D-glucose(aq).gif, 6-amino-D-glucose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, -D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/:/image -D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/:/image -3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/:/image +D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/C00159/image +D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00275/image +D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03384/image +"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/C00354/image +3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/C00882/image lysozyme(aq),,[],,,,,, phospholysozyme(aq),,[],,,,,, phosvitin(aq),,[],,,,,, dephosvitin(aq),,[],,,,,, pyruvate kinase(aq),,[],,,,,, phosphoenolpyruvate kinase(aq),,[],,,,,, -phosphoenolpyruvate(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/:/image -1-phosphatidyl-1D-myo-inositol(aq),kegg:C01194,[],,,chebi:16749,pubchem:4419,,https://rest.kegg.jp/get/:/image -1-phosphatidyl-1D-myo-inositol 4-phosphate(aq),kegg:C01277,[],,,chebi:17526,pubchem:4496,,https://rest.kegg.jp/get/:/image +phosphoenolpyruvate(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/C00074/image +1-phosphatidyl-1D-myo-inositol(aq),kegg:C01194,[],,,chebi:16749,pubchem:4419,,https://rest.kegg.jp/get/C01194/image +1-phosphatidyl-1D-myo-inositol 4-phosphate(aq),kegg:C01277,[],,,chebi:17526,pubchem:4496,,https://rest.kegg.jp/get/C01277/image ADP (aq),,[],,,,,, -ammonium carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,,https://rest.kegg.jp/get/:/image +ammonium carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,,https://rest.kegg.jp/get/C01563/image ATP-beta-S(aq),,[],,,,,, ADP-beta-S(aq),,[],,,,,, -4-phospho-L-aspartate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/:/image -phosphoguanidinoacetate(aq),kegg:C03166,[],,,chebi:16034,pubchem:6049,,https://rest.kegg.jp/get/:/image -creatine(aq),kegg:C00300,[],,,chebi:16919,pubchem:3594,,https://rest.kegg.jp/get/:/image -phosphocreatine(aq),kegg:C02305,[],,,chebi:17287,pubchem:5359,,https://rest.kegg.jp/get/:/image +4-phospho-L-aspartate(aq),kegg:C03082,"['L-4-aspartyl phosphate(aq)', '4-phospho-L-aspartate(aq)']",,,chebi:15836,pubchem:5980,,https://rest.kegg.jp/get/C03082/image +phosphoguanidinoacetate(aq),kegg:C03166,[],,,chebi:16034,pubchem:6049,,https://rest.kegg.jp/get/C03166/image +creatine(aq),kegg:C00300,[],,,chebi:16919,pubchem:3594,,https://rest.kegg.jp/get/C00300/image +phosphocreatine(aq),kegg:C02305,[],,,chebi:17287,pubchem:5359,,https://rest.kegg.jp/get/C02305/image cyclocreatine(aq),,[],,,,,, phosphocyclocreatine(aq),,[],,,,,, "adenosine 5'-(alpha, beta-methylene)triphosphate(aq)",,[],,,,,, "adenosine 5'-(alpha, beta-methylene)diphosphate(aq)",,[],,,,,, -N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/:/image +N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/C05945/image N-omega-phospho-L-arginine(aq),,[],,,,,, -taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/:/image -N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/:/image -lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/:/image -N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/:/image -(R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/:/image -(R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/:/image +taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/C01959/image +N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/C03149/image +lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/C14177/image +N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/C14178/image +(R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/C01107/image +(R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/C01143/image ATP-alpha-S(aq),,[],,,,,, ADP-alpha-S(aq),,[],,,,,, ATP-gemma-S(aq),,[],,,,,, ADP-gamma-S(aq),,[],,,,,, ADP-N1-oxide(aq),,[],,,,,, ATP-N1-oxide(aq),,[],,,,,, -dADP(aq),2 kegg:C00206,[],,,chebi:16174,pubchem:3506,,https://rest.kegg.jp/get/:/image -dAMP(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/:/image -dATP(aq),kegg:C00131,[],,,chebi:16284,pubchem:3431,,https://rest.kegg.jp/get/:/image -adenosine 5'-tetraphosphate(aq),kegg:C03483,[],,,chebi:18334,pubchem:6295,,https://rest.kegg.jp/get/:/image -UTP(aq),kegg:C00075,[],,,chebi:15713,pubchem:3375,,https://rest.kegg.jp/get/:/image -UMP(aq),kegg:C00105,[],,,chebi:16695,pubchem:3405,,https://rest.kegg.jp/get/:/image -inosine 5'-diphosphate(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,,https://rest.kegg.jp/get/:/image -inosine 5'-triphosphate(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/:/image -GDP(aq),kegg:C00035,[],,,chebi:17552,pubchem:3337,,https://rest.kegg.jp/get/:/image -GTP(aq),kegg:C00044,[],,,chebi:15996,pubchem:3346,,https://rest.kegg.jp/get/:/image -dGMP(aq),kegg:C00362,[],,,chebi:16192,pubchem:3653,,https://rest.kegg.jp/get/:/image -dGDP(aq),kegg:C00361,[],,,chebi:28862,pubchem:3652,,https://rest.kegg.jp/get/:/image -dTDP(aq),kegg:C00363,[],,,chebi:18075,pubchem:3654,,https://rest.kegg.jp/get/:/image -CMP(aq),kegg:C00055,[],,,chebi:17361,pubchem:3357,,https://rest.kegg.jp/get/:/image -CDP(aq),kegg:C00112,[],,,chebi:17239,pubchem:3412,,https://rest.kegg.jp/get/:/image -dCMP(aq),kegg:C00239,[],,,chebi:15918,pubchem:3538,,https://rest.kegg.jp/get/:/image -dCDP(aq),kegg:C00705,[],,,chebi:28846,pubchem:3972,,https://rest.kegg.jp/get/:/image -ATP,kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image -beta-Nicotinamide mononucleotide,kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/:/image -pyrophosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,,https://rest.kegg.jp/get/:/image +dADP(aq),2 kegg:C00206,[],,,chebi:16174,pubchem:3506,,https://rest.kegg.jp/get/C00206/image +dAMP(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/C00360/image +dATP(aq),kegg:C00131,[],,,chebi:16284,pubchem:3431,,https://rest.kegg.jp/get/C00131/image +adenosine 5'-tetraphosphate(aq),kegg:C03483,[],,,chebi:18334,pubchem:6295,,https://rest.kegg.jp/get/C03483/image +UTP(aq),kegg:C00075,[],,,chebi:15713,pubchem:3375,,https://rest.kegg.jp/get/C00075/image +UMP(aq),kegg:C00105,[],,,chebi:16695,pubchem:3405,,https://rest.kegg.jp/get/C00105/image +inosine 5'-diphosphate(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,,https://rest.kegg.jp/get/C00104/image +inosine 5'-triphosphate(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/C00081/image +GDP(aq),kegg:C00035,[],,,chebi:17552,pubchem:3337,,https://rest.kegg.jp/get/C00035/image +GTP(aq),kegg:C00044,[],,,chebi:15996,pubchem:3346,,https://rest.kegg.jp/get/C00044/image +dGMP(aq),kegg:C00362,[],,,chebi:16192,pubchem:3653,,https://rest.kegg.jp/get/C00362/image +dGDP(aq),kegg:C00361,[],,,chebi:28862,pubchem:3652,,https://rest.kegg.jp/get/C00361/image +dTDP(aq),kegg:C00363,[],,,chebi:18075,pubchem:3654,,https://rest.kegg.jp/get/C00363/image +CMP(aq),kegg:C00055,[],,,chebi:17361,pubchem:3357,,https://rest.kegg.jp/get/C00055/image +CDP(aq),kegg:C00112,[],,,chebi:17239,pubchem:3412,,https://rest.kegg.jp/get/C00112/image +dCMP(aq),kegg:C00239,[],,,chebi:15918,pubchem:3538,,https://rest.kegg.jp/get/C00239/image +dCDP(aq),kegg:C00705,[],,,chebi:28846,pubchem:3972,,https://rest.kegg.jp/get/C00705/image +ATP,kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/C00002/image +beta-Nicotinamide mononucleotide,kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/C00455/image +pyrophosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,,https://rest.kegg.jp/get/C00013/image beta-Nicotinamide mononucleotide(aq),,[],,,,,, -sulfate(aq),kegg:C00059,[],,,chebi:16189,pubchem:3359,,https://rest.kegg.jp/get/:/image -adenosine 5'-phosphosulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/:/image -dTTP(aq),kegg:C00459,[],,,chebi:18077,pubchem:3743,,https://rest.kegg.jp/get/:/image +sulfate(aq),kegg:C00059,[],,,chebi:16189,pubchem:3359,,https://rest.kegg.jp/get/C00059/image +adenosine 5'-phosphosulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/C00224/image +dTTP(aq),kegg:C00459,[],,,chebi:18077,pubchem:3743,,https://rest.kegg.jp/get/C00459/image 9/20-DNA-oligomer(aq),,[],,,,,, 10/20-DNA-oligomer(aq),,[],,,,,, -UDPgalactose(aq),kegg:C00052,[],,,chebi:18307,pubchem:3354,,https://rest.kegg.jp/get/:/image --D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,,https://rest.kegg.jp/get/:/image -D-mannose 1-phosphate(aq),kegg:C00636,[],,,chebi:35374,pubchem:3909,,https://rest.kegg.jp/get/:/image -GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/get/:/image -CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/:/image -O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/:/image -CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/:/image -phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/:/image -CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/:/image -N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/:/image -dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/:/image -CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/:/image -GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/:/image -[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01281,[],,,,pubchem:4500,,https://rest.kegg.jp/get/:/image -adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01299,[],,,,pubchem:4517,,https://rest.kegg.jp/get/:/image -1-phospho--D-glucuronate(aq),kegg:C05385,[],,,chebi:28547,pubchem:7759,,https://rest.kegg.jp/get/:/image -UDP-D-glucuronate(aq),kegg:C00167,[],,,chebi:17200,pubchem:3467,,https://rest.kegg.jp/get/:/image -succinyl-CoA(aq),kegg:C00091,[],,,chebi:15380,pubchem:3391,,https://rest.kegg.jp/get/:/image -acetoacetate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/:/image +UDPgalactose(aq),kegg:C00052,[],,,chebi:18307,pubchem:3354,,https://rest.kegg.jp/get/C00052/image +-D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,,https://rest.kegg.jp/get/C03384/image +D-mannose 1-phosphate(aq),kegg:C00636,[],,,chebi:35374,pubchem:3909,,https://rest.kegg.jp/get/C00636/image +GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/get/C00096/image +CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/C00063/image +O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/C00346/image +CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/C00570/image +phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/C00588/image +CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/C00307/image +N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/C00043/image +dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/C00842/image +CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/C00501/image +GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/C00394/image +[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01281,[],,,,pubchem:4500,,https://rest.kegg.jp/get/C01281/image +adenylyl-[L-glutamate:ammonia ligase(ADP-forming)](aq),kegg:C01299,[],,,,pubchem:4517,,https://rest.kegg.jp/get/C01299/image +1-phospho--D-glucuronate(aq),kegg:C05385,[],,,chebi:28547,pubchem:7759,,https://rest.kegg.jp/get/C05385/image +UDP-D-glucuronate(aq),kegg:C00167,[],,,chebi:17200,pubchem:3467,,https://rest.kegg.jp/get/C00167/image +succinyl-CoA(aq),kegg:C00091,[],,,chebi:15380,pubchem:3391,,https://rest.kegg.jp/get/C00091/image +acetoacetate(aq),kegg:C00164,"['3-oxobutanoate(aq)', 'acetoacetate(aq)']",,,chebi:13705,pubchem:3464,,https://rest.kegg.jp/get/C00164/image n-decanoic acid glycerol qiester(sln),,[],,,,,, H2O(sln),,[],,,,,, n-decanoic acid(sln),,[],,,,,, @@ -526,282 +526,282 @@ n-octanoic add(sln),,[],,,,,, n-octanoic acid glycerol monoester(sln)n-octanoic acid glycerol monoester(sln),,[],,,,,, n-octanoic acid glycerol monoester(sln),,[],,,,,, n-octanoic acid(sln),,[],,,,,, -acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,,https://rest.kegg.jp/get/:/image -retinyl palmitate(aq),kegg:C02588,[],,,chebi:17616,pubchem:5580,,https://rest.kegg.jp/get/:/image -retinol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,,https://rest.kegg.jp/get/:/image -palmitate(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/:/image -acetyl phosphate-2-(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/:/image -acetate-(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,,https://rest.kegg.jp/get/:/image -HPO4-2-(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/:/image -ADP-3-(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/:/image -AMP-2--(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,,https://rest.kegg.jp/get/:/image -D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://rest.kegg.jp/get/:/image -D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/:/image -4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/:/image -4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/:/image -phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/:/image -phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/:/image -(R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/:/image -phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/:/image -pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/:/image -L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/:/image -phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/:/image -D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/:/image +acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,,https://rest.kegg.jp/get/C01996/image +retinyl palmitate(aq),kegg:C02588,[],,,chebi:17616,pubchem:5580,,https://rest.kegg.jp/get/C02588/image +retinol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,,https://rest.kegg.jp/get/C00473/image +palmitate(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/C00249/image +acetyl phosphate-2-(aq),kegg:C00227,"['acetyl phosphate(aq)', 'acetyl phosphate-2-(aq)']",,,chebi:15350,pubchem:3527,,https://rest.kegg.jp/get/C00227/image +acetate-(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,,https://rest.kegg.jp/get/C00033/image +HPO4-2-(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/C00009/image +ADP-3-(aq),kegg:C00008,"['ADP(aq)', 'ADP-3-(aq)']",,,chebi:16761,pubchem:3310,,https://rest.kegg.jp/get/C00008/image +AMP-2--(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,,https://rest.kegg.jp/get/C00020/image +D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://rest.kegg.jp/get/C01094/image +D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/C01113/image +4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/C03360/image +4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/C00870/image +phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/C02734/image +phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/C00146/image +(R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/C00197/image +phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/C00074/image +pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/C00022/image +L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/C01005/image +phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/C03149/image +D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/C00121/image L-alpha-glycerophosphate(aq),,[],,,,,, -adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/:/image -2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/:/image -2'-deoxyadenosine 5'-monophosphate(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/:/image -guanosine 3':5'-(cyclic)phosphate(aq),kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/:/image -inosine 3':5'-(cyclic)phosphate(aq),kegg:C00943,[],,,chebi:27541,pubchem:4195,,https://rest.kegg.jp/get/:/image +adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/C00575/image +2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/C00968/image +2'-deoxyadenosine 5'-monophosphate(aq),kegg:C00360,"['dAMP(aq)', ""2'-deoxyadenosine 5'-monophosphate(aq)""]",,,chebi:17713,pubchem:3651,,https://rest.kegg.jp/get/C00360/image +guanosine 3':5'-(cyclic)phosphate(aq),kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/C00942/image +inosine 3':5'-(cyclic)phosphate(aq),kegg:C00943,[],,,chebi:27541,pubchem:4195,,https://rest.kegg.jp/get/C00943/image uridine 3':5'-(cyclic)phosphate(aq),,[],,,,,, -adenosine 3'-monophosphate(aq),kegg:C01367,[],,,chebi:28931,pubchem:4566,,https://rest.kegg.jp/get/:/image -maltotetraose(aq),kegg:C02052,[],,,chebi:28460,pubchem:5141,,https://rest.kegg.jp/get/:/image -isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/:/image -isomaltotriose(aq),kegg:C02160,[],,,chebi:27649,pubchem:5236,,https://rest.kegg.jp/get/:/image -maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp/get/:/image -maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/:/image -panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/:/image -palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/:/image -D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/:/image --gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/:/image --D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/:/image -lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/:/image -ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/:/image -L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/:/image +adenosine 3'-monophosphate(aq),kegg:C01367,[],,,chebi:28931,pubchem:4566,,https://rest.kegg.jp/get/C01367/image +maltotetraose(aq),kegg:C02052,[],,,chebi:28460,pubchem:5141,,https://rest.kegg.jp/get/C02052/image +isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/C00252/image +isomaltotriose(aq),kegg:C02160,[],,,chebi:27649,pubchem:5236,,https://rest.kegg.jp/get/C02160/image +maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp/get/C01936/image +maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/C01835/image +panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/C00713/image +palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/C01742/image +D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/C19636/image +-gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/C08240/image +-D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/C05402/image +lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/C07064/image +ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/C01882/image +L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/C00152/image γ-glutamohydroxamic acid(aq),,[],,,,,, hydroxylamine(aq),,[],,,,,images/rdkit/hydroxylamine(aq).gif, -carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/:/image -urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/:/image -cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/:/image -2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/:/image -7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/:/image -penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/:/image -6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/:/image -phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/:/image -penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/:/image -6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/:/image -phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/:/image -6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/:/image -phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/:/image -phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/:/image -N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/:/image -pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/:/image -H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,images/rdkit/H2O.gif,https://rest.kegg.jp/get/:/image -pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/:/image -N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/:/image -L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/:/image +carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/C01563/image +urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/C00086/image +cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/C07761/image +2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/C02595/image +7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/C07756/image +penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/C05551/image +6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/C02954/image +phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/C07086/image +penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/C05551/image +6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image +phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/C08126/image +6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image +phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/C02181/image +phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/C05598/image +N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/C02712/image +pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/C00864/image +H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,images/rdkit/H2O.gif,https://rest.kegg.jp/get/C00001/image +pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/C00522/image +N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/C00438/image +L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/C03703/image ampicillin(aq),,[],,,,,images/rdkit/ampicillin(aq).gif, ampicillinoic acid(aq),,[],,,,,, -penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/:/image +penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/C06567/image phenoxymethylpenicillin(aq),,[],,,,,, phenoxymethylpenicillinoic acid(aq),,[],,,,,, -allantoate(aq),kegg:C00499,[],,,chebi:17536,pubchem:3782,,https://rest.kegg.jp/get/:/image -(-)-ureidoglycolate(aq),kegg:C00603,[],,,chebi:15412,pubchem:3878,,https://rest.kegg.jp/get/:/image -cytidine(aq),kegg:C00475,[],,,chebi:17562,pubchem:3758,,https://rest.kegg.jp/get/:/image -10-formyltetrahydrofolate(aq),kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/:/image -adenylyl sulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/:/image -trimetaphosphate(aq),kegg:C02466,[],,,chebi:16517,pubchem:5482,,https://rest.kegg.jp/get/:/image -triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp/get/:/image --nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/:/image -ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/:/image -ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/:/image -IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/:/image -diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/:/image -phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/:/image -"D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/:/image -erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/:/image -2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/:/image +allantoate(aq),kegg:C00499,[],,,chebi:17536,pubchem:3782,,https://rest.kegg.jp/get/C00499/image +(-)-ureidoglycolate(aq),kegg:C00603,[],,,chebi:15412,pubchem:3878,,https://rest.kegg.jp/get/C00603/image +cytidine(aq),kegg:C00475,[],,,chebi:17562,pubchem:3758,,https://rest.kegg.jp/get/C00475/image +10-formyltetrahydrofolate(aq),kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/C00234/image +adenylyl sulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,,https://rest.kegg.jp/get/C00224/image +trimetaphosphate(aq),kegg:C02466,[],,,chebi:16517,pubchem:5482,,https://rest.kegg.jp/get/C02466/image +triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp/get/C00536/image +-nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/C00455/image +ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/C00002/image +ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/C00081/image +IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/C00104/image +diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/C00013/image +phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/C00009/image +"D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/C01182/image +erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03394/image +glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C00673/image "5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", propionaldehyde(aq),,[],,,,,images/rdkit/propionaldehyde(aq).gif, methylerythrulose 1-phosphate(aq),,[],,,,,, glycerone phosphate (aq),,[],,,,,images/rdkit/glycerone phosphate (aq).gif, -6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/:/image -L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/:/image -2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/:/image -2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/:/image -L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/:/image -N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/:/image -4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/:/image -(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/:/image -"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/:/image -"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/:/image -propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/:/image -L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/:/image -indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/:/image -cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/:/image -3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/:/image -2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/:/image -(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image +6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/C04442/image +L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01099/image +(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/C06159/image +2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/C00684/image +L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01131/image +2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/C01286/image +D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C06019/image +N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/C00270/image +N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/C00645/image +4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/C01127/image +(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02614/image +"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/C04348/image +"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/C00163/image +L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/C00078/image +indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/C00463/image +cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/C00417/image +3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00631/image +(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C03561/image +cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image +(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C01144/image +trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image (3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, cis-hex-2-enoyl-CoA(aq),,[],,,,,images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, -(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/:/image -1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/:/image -maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/:/image -2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/:/image -(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/:/image -2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/:/image +(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05268/image +trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05271/image +1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C03506/image +(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/C00497/image +maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/C01384/image +2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/C01732/image +(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02612/image +2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/C02226/image gamma-fluoroglutamate(aq),,[],,,,,images/rdkit/gamma-fluoroglutamate(aq).gif, cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, -5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/:/image -urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/:/image -"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/:/image -cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/:/image -"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/:/image -dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/:/image -DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image -L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/:/image -L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/:/image -L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/:/image -trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/:/image +5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/C02237/image +urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/C00785/image +"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/C03680/image +cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/C04246/image +"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/C00922/image +DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image +L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/C03618/image +L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/C00135/image +L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/C00079/image +trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/C00423/image beta-alanylpantetheine(aq),,[],,,,,, acrylylpantetheine(aq),,[],,,,,, -N-(L-argino)succinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/:/image -adenylosuccinate(aq),kegg:C03794,[],,,chebi:15919,pubchem:6543,,https://rest.kegg.jp/get/:/image -1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole,kegg:C04823,[],,,chebi:18319,pubchem:7384,,https://rest.kegg.jp/get/:/image -Fumarate,kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/:/image -1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide,kegg:C04677,[],,,chebi:18406,pubchem:7258,,https://rest.kegg.jp/get/:/image -(R)-S-lactoylglutathione(aq),kegg:C03451,[],,,chebi:15694,pubchem:6272,,https://rest.kegg.jp/get/:/image -glutathione (reduced)(aq),kegg:C00051,[],,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image -methylglyoxal(aq),kegg:C00546,[],,,chebi:17158,pubchem:3827,,https://rest.kegg.jp/get/:/image -L-lysine(aq),kegg:C00047,[],,,chebi:18019,pubchem:3349,,https://rest.kegg.jp/get/:/image -D-lysine(aq),kegg:C00739,[],,,chebi:16855,pubchem:4002,,https://rest.kegg.jp/get/:/image -"L,L-2,6-diaminoheptanedioate(aq)",kegg:C00666,[],,,chebi:47031,pubchem:3935,,https://rest.kegg.jp/get/:/image -meso-diaminoheptanedioate(aq),kegg:C00680,[],,,chebi:30308,pubchem:3949,,https://rest.kegg.jp/get/:/image -trans-4-hydroxy-L-proline(aq),kegg:C01157,[],,,chebi:18095,pubchem:4385,,https://rest.kegg.jp/get/:/image -cis-4-hydroxy-D-proline(aq),kegg:C03440,[],,,chebi:16231,pubchem:6264,,https://rest.kegg.jp/get/:/image -D-leucine(aq),kegg:C01570,[],,,chebi:28225,pubchem:4727,,https://rest.kegg.jp/get/:/image +N-(L-argino)succinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/C03406/image +adenylosuccinate(aq),kegg:C03794,[],,,chebi:15919,pubchem:6543,,https://rest.kegg.jp/get/C03794/image +1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole,kegg:C04823,[],,,chebi:18319,pubchem:7384,,https://rest.kegg.jp/get/C04823/image +Fumarate,kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/C00122/image +1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide,kegg:C04677,[],,,chebi:18406,pubchem:7258,,https://rest.kegg.jp/get/C04677/image +(R)-S-lactoylglutathione(aq),kegg:C03451,[],,,chebi:15694,pubchem:6272,,https://rest.kegg.jp/get/C03451/image +glutathione (reduced)(aq),kegg:C00051,[],,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/C00051/image +methylglyoxal(aq),kegg:C00546,[],,,chebi:17158,pubchem:3827,,https://rest.kegg.jp/get/C00546/image +L-lysine(aq),kegg:C00047,[],,,chebi:18019,pubchem:3349,,https://rest.kegg.jp/get/C00047/image +D-lysine(aq),kegg:C00739,[],,,chebi:16855,pubchem:4002,,https://rest.kegg.jp/get/C00739/image +"L,L-2,6-diaminoheptanedioate(aq)",kegg:C00666,[],,,chebi:47031,pubchem:3935,,https://rest.kegg.jp/get/C00666/image +meso-diaminoheptanedioate(aq),kegg:C00680,[],,,chebi:30308,pubchem:3949,,https://rest.kegg.jp/get/C00680/image +trans-4-hydroxy-L-proline(aq),kegg:C01157,[],,,chebi:18095,pubchem:4385,,https://rest.kegg.jp/get/C01157/image +cis-4-hydroxy-D-proline(aq),kegg:C03440,[],,,chebi:16231,pubchem:6264,,https://rest.kegg.jp/get/C03440/image +D-leucine(aq),kegg:C01570,[],,,chebi:28225,pubchem:4727,,https://rest.kegg.jp/get/C01570/image L-alpha-amino-n-butyrate(aq),,[],,,,,, D-alpha-amino-n-butyrate(aq),,[],,,,,, UDP-D-quinovose(aq),,[],,,,,, UDP-D-fucose(aq),,[],,,,,, -L-ribulose 5-phosphate(aq),kegg:C01101,[],,,chebi:17666,pubchem:4335,,https://rest.kegg.jp/get/:/image -UDP-L-arabinose(aq),kegg:C00935,[],,,chebi:17983,pubchem:4187,,https://rest.kegg.jp/get/:/image -UDP-D-xylose(aq),kegg:C00190,[],,,chebi:16082,pubchem:3490,,https://rest.kegg.jp/get/:/image -UDP-D-galacturonate(aq),kegg:C00617,[],,,chebi:16085,pubchem:3891,,https://rest.kegg.jp/get/:/image -N-acetyl-D-glucosamine(aq),kegg:C00140,[],,,chebi:506227,pubchem:3440,,https://rest.kegg.jp/get/:/image -N-acetyl-D-glucosamine 6-phosphate(aq),kegg:C00357,[],,,chebi:15784,pubchem:3650,,https://rest.kegg.jp/get/:/image -N-acetyl-D-mannosamine 6-phosphate(aq),kegg:C04257,[],,,chebi:62168,pubchem:6922,,https://rest.kegg.jp/get/:/image -"CDP-3,6-dideoxy-D-glucose(aq)",kegg:C03598,[],,,chebi:70802,pubchem:6389,,https://rest.kegg.jp/get/:/image -"CDP-3,6-dideoxy-D-mannose(aq)",kegg:C03599,[],,,chebi:88237,pubchem:6390,,https://rest.kegg.jp/get/:/image -alpha-D-Glucose 6-phosphate(aq),kegg:C00668,[],,,chebi:17665,pubchem:3937,,https://rest.kegg.jp/get/:/image -beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https://rest.kegg.jp/get/:/image -GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/:/image -(R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/:/image -(S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/:/image -all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/:/image -11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/:/image -"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/:/image -"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/:/image -D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/:/image -D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/:/image -D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/:/image -L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/:/image -L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/:/image -L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/:/image -L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/:/image --D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/:/image -D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/:/image -D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/:/image +L-ribulose 5-phosphate(aq),kegg:C01101,[],,,chebi:17666,pubchem:4335,,https://rest.kegg.jp/get/C01101/image +UDP-L-arabinose(aq),kegg:C00935,[],,,chebi:17983,pubchem:4187,,https://rest.kegg.jp/get/C00935/image +UDP-D-xylose(aq),kegg:C00190,[],,,chebi:16082,pubchem:3490,,https://rest.kegg.jp/get/C00190/image +UDP-D-galacturonate(aq),kegg:C00617,[],,,chebi:16085,pubchem:3891,,https://rest.kegg.jp/get/C00617/image +N-acetyl-D-glucosamine(aq),kegg:C00140,[],,,chebi:506227,pubchem:3440,,https://rest.kegg.jp/get/C00140/image +N-acetyl-D-glucosamine 6-phosphate(aq),kegg:C00357,[],,,chebi:15784,pubchem:3650,,https://rest.kegg.jp/get/C00357/image +N-acetyl-D-mannosamine 6-phosphate(aq),kegg:C04257,[],,,chebi:62168,pubchem:6922,,https://rest.kegg.jp/get/C04257/image +"CDP-3,6-dideoxy-D-glucose(aq)",kegg:C03598,[],,,chebi:70802,pubchem:6389,,https://rest.kegg.jp/get/C03598/image +"CDP-3,6-dideoxy-D-mannose(aq)",kegg:C03599,[],,,chebi:88237,pubchem:6390,,https://rest.kegg.jp/get/C03599/image +alpha-D-Glucose 6-phosphate(aq),kegg:C00668,[],,,chebi:17665,pubchem:3937,,https://rest.kegg.jp/get/C00668/image +beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https://rest.kegg.jp/get/C01172/image +GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/C02280/image +(R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/C01213/image +(S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/C00683/image +all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/C00376/image +11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/C02110/image +"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C01595/image +"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C04056/image +D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/C01796/image +D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/C02022/image +D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/C00216/image +L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/C01019/image +L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/C01721/image +L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/C00259/image +L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/C00508/image +-D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/C01487/image +D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/C06464/image +D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/C00476/image D-rhamnose(aq),,[],,,,,images/rdkit/D-rhamnose(aq).gif, D-rhamnulose(aq),,[],,,,,images/rdkit/D-rhamnulose(aq).gif, 6-amino-D-fructose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, -D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/:/image -D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/:/image -D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/:/image -D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/:/image -D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/:/image -L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/:/image +D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00352/image +D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/C00333/image +D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/C00558/image +D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/C00191/image +D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/C00905/image +D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C01112/image +L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/C00507/image +L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/C00861/image L-mannose(aq),,[],,,,,images/rdkit/L-mannose(aq).gif, L-fructose(aq),,[],,,,,images/rdkit/L-fructose(aq).gif, -keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/:/image -enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/:/image -keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/:/image -enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/:/image -isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/:/image -dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/:/image -methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/:/image -D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/:/image --D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/:/image +keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C00166/image +enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C02763/image +keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C00036/image +enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C03981/image +isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00129/image +dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00235/image +methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/C02295/image +D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C06156/image +"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/C01231/image +-D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image 6-thioglucose 6-phosphate(aq),,[],,,,,, 6-thioglucose I-phosphate(aq),,[],,,,,, -N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/:/image -"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/:/image -D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/:/image -"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/:/image -2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/:/image -"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/:/image -cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/:/image -tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/:/image -xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/:/image -L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,images/rdkit/L-valine.gif,https://rest.kegg.jp/get/:/image +N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01142/image +D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/C00515/image +"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/C02930/image +"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/C04105/image +cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/C02480/image +tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/C03178/image +xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/C03314/image +L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,images/rdkit/L-valine.gif,https://rest.kegg.jp/get/C00183/image tRNA(Val),kegg:C01653,[],,,chebi:29183,pubchem:4802,, -AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP.gif,https://rest.kegg.jp/get/:/image -diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/:/image -L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/:/image -propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/:/image -L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/:/image -D-arabitol(aq),kegg:C01904,[],,,chebi:18333,pubchem:5013,,https://rest.kegg.jp/get/:/image -D-carnitine(aq),kegg:C15025,[],,,chebi:11060,pubchem:17396022,,https://rest.kegg.jp/get/:/image -prostaglandin E2(aq),kegg:C00584,[],,,chebi:15551,pubchem:3863,,https://rest.kegg.jp/get/:/image -15-oxo-prostaglandin E2(aq),kegg:C04707,[],,,chebi:15547,pubchem:7280,,https://rest.kegg.jp/get/:/image -H2O2(aq),kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/:/image +AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP.gif,https://rest.kegg.jp/get/C00020/image +diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/C00013/image +L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/C02554/image +propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/C00100/image +L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/C03406/image +D-arabitol(aq),kegg:C01904,[],,,chebi:18333,pubchem:5013,,https://rest.kegg.jp/get/C01904/image +D-carnitine(aq),kegg:C15025,[],,,chebi:11060,pubchem:17396022,,https://rest.kegg.jp/get/C15025/image +prostaglandin E2(aq),kegg:C00584,[],,,chebi:15551,pubchem:3863,,https://rest.kegg.jp/get/C00584/image +15-oxo-prostaglandin E2(aq),kegg:C04707,[],,,chebi:15547,pubchem:7280,,https://rest.kegg.jp/get/C04707/image +H2O2(aq),kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/C00027/image beta-D-glucose(aq),,[],,,,,, -1/2 O2(aq),0.5 kegg:C00007,[],,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image -cholesterol(aq),kegg:C00187,[],,,chebi:16113,pubchem:3487,,https://rest.kegg.jp/get/:/image -cholest-4-en-3-one(aq),kegg:C00599,[],,,chebi:16175,pubchem:3875,,https://rest.kegg.jp/get/:/image -prephenate(aq),kegg:C00254,[],,,chebi:29934,pubchem:3553,,https://rest.kegg.jp/get/:/image -4-hydroxyphenylpyruvate(aq),kegg:C01179,[],,,chebi:36242,pubchem:4406,,https://rest.kegg.jp/get/:/image +1/2 O2(aq),0.5 kegg:C00007,[],,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/C00007/image +cholesterol(aq),kegg:C00187,[],,,chebi:16113,pubchem:3487,,https://rest.kegg.jp/get/C00187/image +cholest-4-en-3-one(aq),kegg:C00599,[],,,chebi:16175,pubchem:3875,,https://rest.kegg.jp/get/C00599/image +prephenate(aq),kegg:C00254,[],,,chebi:29934,pubchem:3553,,https://rest.kegg.jp/get/C00254/image +4-hydroxyphenylpyruvate(aq),kegg:C01179,[],,,chebi:36242,pubchem:4406,,https://rest.kegg.jp/get/C01179/image oxonic acid(aq),,[],,,,,, dihydroxonic acid(aq),,[],,,,,, -lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/:/image +lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/C00725/image S-aminomethyldihydro--lipoate(aq),metanetx.chemical:MNXM39260,[],,,,,, -urate(aq),kegg:C00366,[],,,chebi:17775,pubchem:3657,,https://rest.kegg.jp/get/:/image -allantoin(aq),kegg:C01551,[],,,chebi:15676,pubchem:4709,,https://rest.kegg.jp/get/:/image -H2O2,kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/:/image +urate(aq),kegg:C00366,[],,,chebi:17775,pubchem:3657,,https://rest.kegg.jp/get/C00366/image +allantoin(aq),kegg:C01551,[],,,chebi:15676,pubchem:4709,,https://rest.kegg.jp/get/C01551/image +H2O2,kegg:C00027,"['H2O2(aq)', 'H2O2']",,,chebi:16240,pubchem:3329,,https://rest.kegg.jp/get/C00027/image reduced thiocyanate,,[],,,,,, oxidized thiocyanate,,[],,,,,, -dodecanal(aq),kegg:C02278,[],,,chebi:27836,pubchem:5336,,https://rest.kegg.jp/get/:/image -FMN(reduced),kegg:C01847,[],,,chebi:16048,pubchem:4964,,https://rest.kegg.jp/get/:/image -dodecanoic acid(aq),kegg:C02679,[],,,chebi:18262,pubchem:5649,,https://rest.kegg.jp/get/:/image -FMN(oxidized),kegg:C00061,[],,,chebi:17621,pubchem:3361,,https://rest.kegg.jp/get/:/image -(+)-camphor(aq),kegg:C00808,[],,,chebi:15396,pubchem:4066,,https://rest.kegg.jp/get/:/image -(+)-5-exo-hydroxycamphor(aq),kegg:C03448,[],,,chebi:20570,pubchem:6270,,https://rest.kegg.jp/get/:/image -CH2-H4PteGlu4(aq),kegg:C04377,[],,,chebi:16568,pubchem:7018,,https://rest.kegg.jp/get/:/image -H4PteGlu4(aq),kegg:C01217,[],,,chebi:17321,pubchem:4439,,https://rest.kegg.jp/get/:/image -O-acetyl-L-serine(aq),kegg:C00979,[],,,chebi:17981,pubchem:4228,,https://rest.kegg.jp/get/:/image -phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,,https://rest.kegg.jp/get/:/image -L-tyrosine(aq),kegg:C00082,[],,,chebi:17895,pubchem:3382,,https://rest.kegg.jp/get/:/image -4-methyl-2-oxopentanooate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/:/image -3-aminopropionaldehyde(aq),kegg:C05665,[],,,chebi:18090,pubchem:7975,,https://rest.kegg.jp/get/:/image -"1,3-diaminopropane(aq)",kegg:C00986,[],,,chebi:15725,pubchem:4233,,https://rest.kegg.jp/get/:/image --isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/:/image -amoxicillin(aq),kegg:C06827,[],,,chebi:2676,pubchem:9045,,https://rest.kegg.jp/get/:/image -D-4-hydroxyphenylglycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/:/image -N-glycolylneuraminate(aq),kegg:C03410,[],,,chebi:29025,pubchem:6239,,https://rest.kegg.jp/get/:/image -N-glycolyl-D-mannosamine(aq),kegg:C03521,[],,,chebi:28255,pubchem:6329,,https://rest.kegg.jp/get/:/image -chorismate(aq),kegg:C00251,[],,,chebi:17333,pubchem:3550,,https://rest.kegg.jp/get/:/image -4-hydroxybenzoate(aq),kegg:C00156,[],,,chebi:17879,pubchem:3456,,https://rest.kegg.jp/get/:/image -"cyclohexa-1,5-diene-1-carboxyl-CoA(aq)",kegg:C06322,[],,,chebi:15520,pubchem:8558,,https://rest.kegg.jp/get/:/image -6-hydroxycyclohex-1-ene-carboxyl-CoA(aq),kegg:C06749,[],,,chebi:15505,pubchem:8970,,https://rest.kegg.jp/get/:/image +dodecanal(aq),kegg:C02278,[],,,chebi:27836,pubchem:5336,,https://rest.kegg.jp/get/C02278/image +FMN(reduced),kegg:C01847,[],,,chebi:16048,pubchem:4964,,https://rest.kegg.jp/get/C01847/image +dodecanoic acid(aq),kegg:C02679,[],,,chebi:18262,pubchem:5649,,https://rest.kegg.jp/get/C02679/image +FMN(oxidized),kegg:C00061,[],,,chebi:17621,pubchem:3361,,https://rest.kegg.jp/get/C00061/image +(+)-camphor(aq),kegg:C00808,[],,,chebi:15396,pubchem:4066,,https://rest.kegg.jp/get/C00808/image +(+)-5-exo-hydroxycamphor(aq),kegg:C03448,[],,,chebi:20570,pubchem:6270,,https://rest.kegg.jp/get/C03448/image +CH2-H4PteGlu4(aq),kegg:C04377,[],,,chebi:16568,pubchem:7018,,https://rest.kegg.jp/get/C04377/image +H4PteGlu4(aq),kegg:C01217,[],,,chebi:17321,pubchem:4439,,https://rest.kegg.jp/get/C01217/image +O-acetyl-L-serine(aq),kegg:C00979,[],,,chebi:17981,pubchem:4228,,https://rest.kegg.jp/get/C00979/image +phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,,https://rest.kegg.jp/get/C00166/image +L-tyrosine(aq),kegg:C00082,[],,,chebi:17895,pubchem:3382,,https://rest.kegg.jp/get/C00082/image +4-methyl-2-oxopentanooate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/C00233/image +3-aminopropionaldehyde(aq),kegg:C05665,[],,,chebi:18090,pubchem:7975,,https://rest.kegg.jp/get/C05665/image +"1,3-diaminopropane(aq)",kegg:C00986,[],,,chebi:15725,pubchem:4233,,https://rest.kegg.jp/get/C00986/image +-isomaltose(aq),kegg:C00252,"['isomaltose(aq)', '-isomaltose(aq)']",,,chebi:28189,pubchem:3551,,https://rest.kegg.jp/get/C00252/image +amoxicillin(aq),kegg:C06827,[],,,chebi:2676,pubchem:9045,,https://rest.kegg.jp/get/C06827/image +D-4-hydroxyphenylglycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/C03493/image +N-glycolylneuraminate(aq),kegg:C03410,[],,,chebi:29025,pubchem:6239,,https://rest.kegg.jp/get/C03410/image +N-glycolyl-D-mannosamine(aq),kegg:C03521,[],,,chebi:28255,pubchem:6329,,https://rest.kegg.jp/get/C03521/image +chorismate(aq),kegg:C00251,[],,,chebi:17333,pubchem:3550,,https://rest.kegg.jp/get/C00251/image +4-hydroxybenzoate(aq),kegg:C00156,[],,,chebi:17879,pubchem:3456,,https://rest.kegg.jp/get/C00156/image +"cyclohexa-1,5-diene-1-carboxyl-CoA(aq)",kegg:C06322,[],,,chebi:15520,pubchem:8558,,https://rest.kegg.jp/get/C06322/image +6-hydroxycyclohex-1-ene-carboxyl-CoA(aq),kegg:C06749,[],,,chebi:15505,pubchem:8970,,https://rest.kegg.jp/get/C06749/image indol-3-yl-glycerol-3-phosphate(aq),,[],,,,,, -H2o(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image -4-amino-4-deoxychorismate(aq),kegg:C11355,[],,,chebi:35181,pubchem:13530,,https://rest.kegg.jp/get/:/image -isochorismate(aq),kegg:C00885,[],,,chebi:29780,pubchem:4141,,https://rest.kegg.jp/get/:/image -2-amino-2-deoxyisochorismate(aq),kegg:C18054,[],,,chebi:49197,pubchem:96024274,,https://rest.kegg.jp/get/:/image +H2o(l),kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/C00001/image +4-amino-4-deoxychorismate(aq),kegg:C11355,[],,,chebi:35181,pubchem:13530,,https://rest.kegg.jp/get/C11355/image +isochorismate(aq),kegg:C00885,[],,,chebi:29780,pubchem:4141,,https://rest.kegg.jp/get/C00885/image +2-amino-2-deoxyisochorismate(aq),kegg:C18054,[],,,chebi:49197,pubchem:96024274,,https://rest.kegg.jp/get/C18054/image 2-benzyl-1-cyclohexanone(sln),,[],,,,,, 2-propanol(sln),,[],,,,,, (±)-cis-2-benzyl-1-cyclohexanol(sln),,[],,,,,, @@ -843,66 +843,66 @@ cyclopentanol(sln),,[],,,,,images/rdkit/cyclopentanol(sln).gif, (±)-cis-2-phenyl-1-pentanol(sln),,[],,,,,, 1-phenyl-1-propanone(sln),,[],,,,,images/rdkit/1-phenyl-1-propanone(sln).gif, (±)-cis-2-phenyl-1-propanol(sln),,[],,,,,, -NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/:/image -NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/:/image -D-mannitol-1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,,https://rest.kegg.jp/get/:/image -NAD(ox)(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image -NAD(red)(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/:/image -D-2-hydroxy-n-butanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/:/image +NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/C00006/image +NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/C00005/image +D-mannitol-1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,,https://rest.kegg.jp/get/C00644/image +NAD(ox)(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image +NAD(red)(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/C00004/image +D-2-hydroxy-n-butanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/C05984/image "(2R,3R)-erythro-fluoromalate(aq)",,[],,,,,, (3R)-fluorooxaloacetate(aq),,[],,,,,, 3-acetylpyridine adenine dinucleotide(ox)(aq),,[],,,,,, 3-acetylpyridine adenine dinucleotide(red)(aq),,[],,,,,, -pyridoxine(aq),kegg:C00314,[],,,chebi:16709,pubchem:3608,,https://rest.kegg.jp/get/:/image -"(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)",kegg:C05662,[],,,chebi:30904,pubchem:7972,,https://rest.kegg.jp/get/:/image -NAD(ox),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image -NAD(red),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/:/image +pyridoxine(aq),kegg:C00314,[],,,chebi:16709,pubchem:3608,,https://rest.kegg.jp/get/C00314/image +"(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate(aq)",kegg:C05662,[],,,chebi:30904,pubchem:7972,,https://rest.kegg.jp/get/C05662/image +NAD(ox),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image +NAD(red),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",,,chebi:16908,pubchem:3306,,https://rest.kegg.jp/get/C00004/image dTDP-6-deoxy-L-lyxo-4-hexulose(aq),,[],,,,,, dTDP-L-rhamnose(aq),,[],,,,,, dTDP-6-deoxy-D-lyxo-4-hexulose(aq),,[],,,,,, -(R)-pantoate(aq),kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,,https://rest.kegg.jp/get/:/image -NADP(ox),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/:/image -2-dehydropantoate(aq),kegg:C00966,[],,,chebi:11561,pubchem:4217,,https://rest.kegg.jp/get/:/image -2-keto-L-gulonate(aq),kegg:C15673,[],,,chebi:36602,pubchem:47204999,,https://rest.kegg.jp/get/:/image -"2,5-diketo-D-gluconate(aq)",kegg:C02780,[],,,chebi:18281,pubchem:5731,,https://rest.kegg.jp/get/:/image +(R)-pantoate(aq),kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,,https://rest.kegg.jp/get/C00522/image +NADP(ox),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/C00006/image +2-dehydropantoate(aq),kegg:C00966,[],,,chebi:11561,pubchem:4217,,https://rest.kegg.jp/get/C00966/image +2-keto-L-gulonate(aq),kegg:C15673,[],,,chebi:36602,pubchem:47204999,,https://rest.kegg.jp/get/C15673/image +"2,5-diketo-D-gluconate(aq)",kegg:C02780,[],,,chebi:18281,pubchem:5731,,https://rest.kegg.jp/get/C02780/image 4-dimethylaminomethylbenzylamine(aq),,[],,,,,, 4-dimethylaminomethylbenzaldehyde(aq),,[],,,,,, -"N6-(L-1,3-dicarboxypropyl)-L-lysine",kegg:C00449,[],,,chebi:16927,pubchem:3737,,https://rest.kegg.jp/get/:/image -glutathoine(red)(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/:/image -glutathoine(ox)(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/:/image +"N6-(L-1,3-dicarboxypropyl)-L-lysine",kegg:C00449,[],,,chebi:16927,pubchem:3737,,https://rest.kegg.jp/get/C00449/image +glutathoine(red)(aq),2 kegg:C00051,"['reduced glutathione(aq)', 'glutathoine(red)(aq)']",,,chebi:16856,pubchem:3353,,https://rest.kegg.jp/get/C00051/image +glutathoine(ox)(aq),kegg:C00127,"['oxidized glutathione(aq)', 'glutathoine(ox)(aq)']",,,chebi:17858,pubchem:3427,,https://rest.kegg.jp/get/C00127/image glutathione(red)(ox),,[],,,,,, glutathione(ox)(aq),,[],,,,,, -O2-,2 kegg:C00704,[],,,chebi:18421,pubchem:3971,,https://rest.kegg.jp/get/:/image -O2,kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/:/image +O2-,2 kegg:C00704,[],,,chebi:18421,pubchem:3971,,https://rest.kegg.jp/get/C00704/image +O2,kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/C00007/image methyl viologen(red)(aq),,[],,,,,, methyl viologen(ox)(aq),,[],,,,,, H2(g),,[],,,,,, -(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq),kegg:C04688,[],,,,pubchem:7269,,https://rest.kegg.jp/get/:/image +(R)-3-hydroxytetradecanoyl-[acyl-carrier-protein](aq),kegg:C04688,[],,,,pubchem:7269,,https://rest.kegg.jp/get/C04688/image acyl-carrier-protein(aq),kegg:C03688,[],,,chebi:16139,pubchem:6463,, -UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq),kegg:C04738,[],,,chebi:61537,pubchem:7309,,https://rest.kegg.jp/get/:/image -corrinoid protein(aq),kegg:C06021,[],,,chebi:33913,pubchem:8293,,https://rest.kegg.jp/get/:/image -carbon monoxide(aq),kegg:C00237,[],,,chebi:17245,pubchem:3536,,https://rest.kegg.jp/get/:/image -methylcorrinoid protein(aq),kegg:C06020,[],,,,pubchem:8292,,https://rest.kegg.jp/get/:/image -'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,,https://rest.kegg.jp/get/:/image -orotidine 5 '-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/:/image -Nicotinate D-ribonucleotide(aq),kegg:C01185,[],,,chebi:15763,pubchem:4411,,https://rest.kegg.jp/get/:/image -nicotinic acid(aq),kegg:C00253,[],,,chebi:32544,pubchem:3552,,https://rest.kegg.jp/get/:/image -5-Phospho-alpha-D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/:/image -'-methylthioadenosine(aq),kegg:C00170,[],,,chebi:17509,pubchem:3470,,https://rest.kegg.jp/get/:/image -5-methylthio-D-ribose 1-phosphate(aq),kegg:C04188,[],,,chebi:27859,pubchem:6864,,https://rest.kegg.jp/get/:/image -(2-aminoethyl)phosphonate(aq),kegg:C03557,[],,,chebi:15573,pubchem:6353,,https://rest.kegg.jp/get/:/image -2-phosphonoacetaldehyde(aq),kegg:C03167,[],,,chebi:18124,pubchem:6050,,https://rest.kegg.jp/get/:/image -2-oxoisocaproate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/:/image +UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-D-glucosamine(aq),kegg:C04738,[],,,chebi:61537,pubchem:7309,,https://rest.kegg.jp/get/C04738/image +corrinoid protein(aq),kegg:C06021,[],,,chebi:33913,pubchem:8293,,https://rest.kegg.jp/get/C06021/image +carbon monoxide(aq),kegg:C00237,[],,,chebi:17245,pubchem:3536,,https://rest.kegg.jp/get/C00237/image +methylcorrinoid protein(aq),kegg:C06020,[],,,,pubchem:8292,,https://rest.kegg.jp/get/C06020/image +'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,,https://rest.kegg.jp/get/C05512/image +orotidine 5 '-phosphate(aq),kegg:C01103,"[""orotidine 5'-phosphate(aq)"", ""orotidine 5 '-phosphate(aq)""]",,,chebi:15842,pubchem:4337,,https://rest.kegg.jp/get/C01103/image +Nicotinate D-ribonucleotide(aq),kegg:C01185,[],,,chebi:15763,pubchem:4411,,https://rest.kegg.jp/get/C01185/image +nicotinic acid(aq),kegg:C00253,[],,,chebi:32544,pubchem:3552,,https://rest.kegg.jp/get/C00253/image +5-Phospho-alpha-D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/C00119/image +'-methylthioadenosine(aq),kegg:C00170,[],,,chebi:17509,pubchem:3470,,https://rest.kegg.jp/get/C00170/image +5-methylthio-D-ribose 1-phosphate(aq),kegg:C04188,[],,,chebi:27859,pubchem:6864,,https://rest.kegg.jp/get/C04188/image +(2-aminoethyl)phosphonate(aq),kegg:C03557,[],,,chebi:15573,pubchem:6353,,https://rest.kegg.jp/get/C03557/image +2-phosphonoacetaldehyde(aq),kegg:C03167,[],,,chebi:18124,pubchem:6050,,https://rest.kegg.jp/get/C03167/image +2-oxoisocaproate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,,https://rest.kegg.jp/get/C00233/image L-tert-leucine(aq),,[],,,,,, "3,3-dimethyl-2-oxobutanoate(aq)",,[],,,,,, -L-valine(aq),kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,,https://rest.kegg.jp/get/:/image -2-oxovalerate(aq),kegg:C06255,[],,,chebi:33033,pubchem:8494,,https://rest.kegg.jp/get/:/image +L-valine(aq),kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,,https://rest.kegg.jp/get/C00183/image +2-oxovalerate(aq),kegg:C06255,[],,,chebi:33033,pubchem:8494,,https://rest.kegg.jp/get/C06255/image serpeptide(aq),,[],,,,,, phosphorylated serpeptide(aq),,[],,,,,, syntide 2(aq),,[],,,,,, phosphosyntide(aq),,[],,,,,, -myosin light chain(aq),kegg:C01003,[],,,,pubchem:4249,,https://rest.kegg.jp/get/:/image -myosin light chain phosphate(aq),kegg:C03875,[],,,,pubchem:6609,,https://rest.kegg.jp/get/:/image +myosin light chain(aq),kegg:C01003,[],,,,pubchem:4249,,https://rest.kegg.jp/get/C01003/image +myosin light chain phosphate(aq),kegg:C03875,[],,,,pubchem:6609,,https://rest.kegg.jp/get/C03875/image 2-aminobenzoic acid(aq) ,,[],,,,,, 2-aminobenzoic acid adenylate(aq),,[],,,,,, 3-aminobenzoic acid(aq) ,,[],,,,,, @@ -925,8 +925,8 @@ benzoic acid adenylate(aq),,[],,,,,, 3-methylbenzoic acid adenylate(aq),,[],,,,,, 4-methylbenzoic acid(aq),,[],,,,,images/rdkit/4-methylbenzoic acid(aq).gif, 4-methylbenzoic acid adenylate(aq),,[],,,,,, -Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/:/image -adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/:/image +Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/C05945/image +adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/C00224/image deoxynucleoside triphosphate(aq),,[],,,,,, polyd-A-Tn(aq),,[],,,,,, polyd-A-Tn+1(aq),,[],,,,,, @@ -967,8 +967,8 @@ trans-2-hydroxycyclopentanemethanol-phosphate(aq),,[],,,,,, 2-methoxy-3-hydroxypropyl phosphate(aq),,[],,,,,, 5-methyltrimethylene phosphate(aq),,[],,,,,, 2-methyl-3-hydroxypropyl phosphate(aq),,[],,,,,, -"guanosine 3 ',5 '-cyclic phosphate(aq)",kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/:/image -guanosine 5 '-phosphate(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/:/image +"guanosine 3 ',5 '-cyclic phosphate(aq)",kegg:C00942,"[""guanosine 3':5'-(cyclic)phosphate(aq)"", ""guanosine 3 ',5 '-cyclic phosphate(aq)""]",,,chebi:16356,pubchem:4194,,https://rest.kegg.jp/get/C00942/image +guanosine 5 '-phosphate(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/C00144/image 4-nitrophenyl acetate(aq),,[],,,,,, succinylAla-Ala-Pro-Leu-4-nitrophenylanalide(aq),,[],,,,,, succinylAla-Ala-Pro-Leu(aq),,[],,,,,, @@ -976,7 +976,7 @@ succinylAla-Ala-Pro-Leu(aq),,[],,,,,, succinylAla-Ala-Pro-Phe-4-nitrophenylanalide(aq),,[],,,,,, succinylAla-Ala-Pro-Phe(aq),,[],,,,,, 4-nitrophenylanalide(aq),,[],,,,,, -D-(4-hydroxyphenyl)glycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/:/image +D-(4-hydroxyphenyl)glycine(aq),kegg:C03493,"['D-4-hydroxyphenylglycine(aq)', 'D-(4-hydroxyphenyl)glycine(aq)']",,,chebi:15695,pubchem:6305,,https://rest.kegg.jp/get/C03493/image cefamandole(aq),,[],,,,,, 7-amino-3-1-methyl-IIItetrazol-5-yl-thiomethyl-cephalosporanic acid(aq),,[],,,,,, D-mandelic acid(aq),,[],,,,,, @@ -988,66 +988,66 @@ L-cysteine(aq),,[],,,,,, N-acetyl-L-norleucine(aq),,[],,,,,, L-norleucine(aq),,[],,,,,, N-acetyl-L-valine(aq),,[],,,,,, -N-acetyl-L-phenylalanine(aq),kegg:C03519,[],,,chebi:16259,pubchem:6328,,https://rest.kegg.jp/get/:/image -anandamide(aq),kegg:C11695,[],,,chebi:2700,pubchem:13860,,https://rest.kegg.jp/get/:/image -ethanolamine(aq),kegg:C00189,[],,,chebi:16000,pubchem:3489,,https://rest.kegg.jp/get/:/image -arachidonic acid(aq),kegg:C00219,[],,,chebi:15843,pubchem:3519,,https://rest.kegg.jp/get/:/image -palmitoylethanolamide(aq),kegg:C16512,[],,,chebi:71464,pubchem:49661772,,https://rest.kegg.jp/get/:/image -palmitic acid(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/:/image -"5,6-dihydrouracil(aq)",kegg:C00429,[],,,chebi:15901,pubchem:3718,,https://rest.kegg.jp/get/:/image -3-ureidopropanoic acid(aq),kegg:C02642,[],,,chebi:18261,pubchem:5621,,https://rest.kegg.jp/get/:/image -"((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)",kegg:C05922,[],,,,pubchem:8210,,https://rest.kegg.jp/get/:/image -benzonitrile(aq),kegg:C09814,[],,,chebi:27991,pubchem:12002,,https://rest.kegg.jp/get/:/image -H2O(aq),2 kegg:C00001,[],,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/:/image -benzoic acid(aq),kegg:C00180,[],,,chebi:16150,pubchem:3480,,https://rest.kegg.jp/get/:/image -benzyl cyanide(aq),kegg:C16074,[],,,chebi:25979,pubchem:47205384,,https://rest.kegg.jp/get/:/image -3-indoleacetonitrile(aq),kegg:C02938,[],,,chebi:17566,pubchem:5857,,https://rest.kegg.jp/get/:/image -indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest.kegg.jp/get/:/image -"D-ribulose 1,5-bisphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/:/image -2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq),kegg:C04691,[],,,chebi:18150,pubchem:7271,,https://rest.kegg.jp/get/:/image -2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/:/image -anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/:/image -(3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/:/image -trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/:/image -4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/:/image -UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/:/image -D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/:/image -"(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/:/image -"(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/:/image -3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/:/image +N-acetyl-L-phenylalanine(aq),kegg:C03519,[],,,chebi:16259,pubchem:6328,,https://rest.kegg.jp/get/C03519/image +anandamide(aq),kegg:C11695,[],,,chebi:2700,pubchem:13860,,https://rest.kegg.jp/get/C11695/image +ethanolamine(aq),kegg:C00189,[],,,chebi:16000,pubchem:3489,,https://rest.kegg.jp/get/C00189/image +arachidonic acid(aq),kegg:C00219,[],,,chebi:15843,pubchem:3519,,https://rest.kegg.jp/get/C00219/image +palmitoylethanolamide(aq),kegg:C16512,[],,,chebi:71464,pubchem:49661772,,https://rest.kegg.jp/get/C16512/image +palmitic acid(aq),kegg:C00249,"['palmitate(aq)', 'palmitic acid(aq)']",,,chebi:15756,pubchem:3548,,https://rest.kegg.jp/get/C00249/image +"5,6-dihydrouracil(aq)",kegg:C00429,[],,,chebi:15901,pubchem:3718,,https://rest.kegg.jp/get/C00429/image +3-ureidopropanoic acid(aq),kegg:C02642,[],,,chebi:18261,pubchem:5621,,https://rest.kegg.jp/get/C02642/image +"((2R,3S,4R,5R)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate(aq)",kegg:C05922,[],,,,pubchem:8210,,https://rest.kegg.jp/get/C05922/image +benzonitrile(aq),kegg:C09814,[],,,chebi:27991,pubchem:12002,,https://rest.kegg.jp/get/C09814/image +H2O(aq),2 kegg:C00001,[],,,chebi:15377,pubchem:3303,,https://rest.kegg.jp/get/C00001/image +benzoic acid(aq),kegg:C00180,[],,,chebi:16150,pubchem:3480,,https://rest.kegg.jp/get/C00180/image +benzyl cyanide(aq),kegg:C16074,[],,,chebi:25979,pubchem:47205384,,https://rest.kegg.jp/get/C16074/image +3-indoleacetonitrile(aq),kegg:C02938,[],,,chebi:17566,pubchem:5857,,https://rest.kegg.jp/get/C02938/image +indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest.kegg.jp/get/C00954/image +"D-ribulose 1,5-bisphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/C01182/image +2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate(aq),kegg:C04691,[],,,chebi:18150,pubchem:7271,,https://rest.kegg.jp/get/C04691/image +2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/C00204/image +anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/C00108/image +(3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image +trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/C00877/image +4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/C04114/image +UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/C00203/image +D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/C06463/image +"(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/C05439/image +"(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/C05437/image +3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/C02798/image tRNA-Tyr(aq),kegg:C00787,[],,,chebi:29182,pubchem:4045,, -L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/:/image +L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/C02839/image tRNA-Thr(aq),kegg:C01651,[],,,chebi:29180,pubchem:4800,, -L-threonyl-tRNA-Thr(aq),kegg:C02992,[],,,chebi:29163,pubchem:5901,,https://rest.kegg.jp/get/:/image -L-isoleusine(aq),kegg:C00407,[],,,chebi:17191,pubchem:3697,,https://rest.kegg.jp/get/:/image +L-threonyl-tRNA-Thr(aq),kegg:C02992,[],,,chebi:29163,pubchem:5901,,https://rest.kegg.jp/get/C02992/image +L-isoleusine(aq),kegg:C00407,[],,,chebi:17191,pubchem:3697,,https://rest.kegg.jp/get/C00407/image tRNA-Ile(aq),kegg:C01644,[],,,chebi:29174,pubchem:4793,, -L-isoleucyl-tRNA-Ile(aq),kegg:C03127,[],,,chebi:29160,pubchem:6020,,https://rest.kegg.jp/get/:/image +L-isoleucyl-tRNA-Ile(aq),kegg:C03127,[],,,chebi:29160,pubchem:6020,,https://rest.kegg.jp/get/C03127/image tRNA-Lys(aq),kegg:C01646,[],,,chebi:29185,pubchem:4795,, -L-lysyl-tRNA-Lys(aq),kegg:C01931,[],,,chebi:16047,pubchem:5037,,https://rest.kegg.jp/get/:/image +L-lysyl-tRNA-Lys(aq),kegg:C01931,[],,,chebi:16047,pubchem:5037,,https://rest.kegg.jp/get/C01931/image tRNA-Ser(aq),kegg:C01650,[],,,chebi:29179,pubchem:4799,, -L-seryl-tRNA-Ser(aq),kegg:C02553,[],,,chebi:29162,pubchem:5554,,https://rest.kegg.jp/get/:/image +L-seryl-tRNA-Ser(aq),kegg:C02553,[],,,chebi:29162,pubchem:5554,,https://rest.kegg.jp/get/C02553/image tRNA-Arg(aq),kegg:C01636,[],,,chebi:29171,pubchem:4785,, -L-arginyl-tRNA-Arg(aq),kegg:C02163,[],,,chebi:18366,pubchem:5239,,https://rest.kegg.jp/get/:/image +L-arginyl-tRNA-Arg(aq),kegg:C02163,[],,,chebi:18366,pubchem:5239,,https://rest.kegg.jp/get/C02163/image tRNA-Phe(aq),kegg:C01648,[],,,chebi:29184,pubchem:4797,, -L-phenylalanyl-tRNA-Phe(aq),kegg:C03511,[],,,chebi:29153,pubchem:6321,,https://rest.kegg.jp/get/:/image +L-phenylalanyl-tRNA-Phe(aq),kegg:C03511,[],,,chebi:29153,pubchem:6321,,https://rest.kegg.jp/get/C03511/image tRNA-His(aq),kegg:C01643,[],,,chebi:29178,pubchem:4792,, -L-histidyl-tRNA-His(aq),kegg:C02988,[],,,chebi:29155,pubchem:5897,,https://rest.kegg.jp/get/:/image +L-histidyl-tRNA-His(aq),kegg:C02988,[],,,chebi:29155,pubchem:5897,,https://rest.kegg.jp/get/C02988/image (deoxyribonucleotide)_n(aq),,[],,,chebi:16991,pubchem:3341,, (deoxyribonucleotide)_m(aq),,[],,,chebi:16991,pubchem:3341,, (deoxyribonucleotide)_m+n(aq),,[],,,chebi:16991,pubchem:3341,, -NAD+(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/:/image -THF(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image -"5,10-CH2-THF(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,,https://rest.kegg.jp/get/:/image -NH3(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,,https://rest.kegg.jp/get/:/image -CO2(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image -Aminoimidazole ribotide,kegg:C03373,[],,,chebi:138560,pubchem:6208,,https://rest.kegg.jp/get/:/image -CO2,kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/:/image -1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate,kegg:C04751,[],,,chebi:28413,pubchem:7321,,https://rest.kegg.jp/get/:/image -10-Formyltetrahydrofolate,kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/:/image -Tetrahydrofolate,kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/:/image -1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide,kegg:C04734,[],,,chebi:18381,pubchem:7305,,https://rest.kegg.jp/get/:/image -D-Ribulose 5-phosphate,kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/:/image -Formaldehyde,kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/:/image -D-arabino-Hex-3-ulose 6-phosphate,kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,,https://rest.kegg.jp/get/:/image -D-Fructose 6-phosphate,kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,,https://rest.kegg.jp/get/:/image -",-trehalose 6-phosphate(aq)",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,,https://rest.kegg.jp/get/:/image +NAD+(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image +THF(aq),kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/C00101/image +"5,10-CH2-THF(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,,https://rest.kegg.jp/get/C00143/image +NH3(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,,https://rest.kegg.jp/get/C00014/image +CO2(aq),kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/C00288/image +Aminoimidazole ribotide,kegg:C03373,[],,,chebi:138560,pubchem:6208,,https://rest.kegg.jp/get/C03373/image +CO2,kegg:C00288,"['carbon dioxide(aq)', 'CO2(aq)', 'CO2']",,,chebi:17544,pubchem:3583,,https://rest.kegg.jp/get/C00288/image +1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate,kegg:C04751,[],,,chebi:28413,pubchem:7321,,https://rest.kegg.jp/get/C04751/image +10-Formyltetrahydrofolate,kegg:C00234,"['10-formyltetrahydrofolate(aq)', '10-Formyltetrahydrofolate']",,,chebi:15637,pubchem:3533,,https://rest.kegg.jp/get/C00234/image +Tetrahydrofolate,kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,,https://rest.kegg.jp/get/C00101/image +1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide,kegg:C04734,[],,,chebi:18381,pubchem:7305,,https://rest.kegg.jp/get/C04734/image +D-Ribulose 5-phosphate,kegg:C00199,"['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-phosphate']",,,chebi:17363,pubchem:3499,,https://rest.kegg.jp/get/C00199/image +Formaldehyde,kegg:C00067,"['formaldehyde(aq)', 'Formaldehyde']",,,chebi:16842,pubchem:3367,,https://rest.kegg.jp/get/C00067/image +D-arabino-Hex-3-ulose 6-phosphate,kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,,https://rest.kegg.jp/get/C06019/image +D-Fructose 6-phosphate,kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,,https://rest.kegg.jp/get/C00085/image +",-trehalose 6-phosphate(aq)",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,,https://rest.kegg.jp/get/C00689/image From fa3fd8f86daa0fd2153598eac2e262b560c75e1d Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 05:16:12 +0100 Subject: [PATCH 4/6] minor csv modif --- maxime/.gitignore | 1 + maxime/Make_final_csv.ipynb | 271 ++++++++++++- maxime/final_compound_csv.csv | 716 +++++++++++++++++----------------- 3 files changed, 628 insertions(+), 360 deletions(-) diff --git a/maxime/.gitignore b/maxime/.gitignore index 765979d..cbe37c4 100644 --- a/maxime/.gitignore +++ b/maxime/.gitignore @@ -1,3 +1,4 @@ openTECR recuration.ods TECRDB.csv images/kegg/* +.ipynb_checkpoints/* diff --git a/maxime/Make_final_csv.ipynb b/maxime/Make_final_csv.ipynb index d3a08c8..1077c54 100644 --- a/maxime/Make_final_csv.ipynb +++ b/maxime/Make_final_csv.ipynb @@ -587,7 +587,7 @@ }, { "cell_type": "code", - "execution_count": 19, + "execution_count": 23, "id": "652774c0", "metadata": {}, "outputs": [], @@ -597,9 +597,276 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 24, "id": "ed2d73ea", "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "

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namekeggsynonymsinchikeysmileschebispubchemsrdkit_imgkegg_img
0benzyl alcohol(aq)kegg:C00556[]InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-NOCc1ccccc1chebi:17987pubchem:3836images/rdkit/benzyl alcohol(aq).gifhttps://rest.kegg.jp/get/C00556/image
1NAD(aq)kegg:C00003['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '...InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-ONC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...chebi:15846pubchem:3305images/rdkit/NAD(aq).gifhttps://rest.kegg.jp/get/C00003/image
2benzaldehyde(aq)kegg:C00261[]InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-NO=Cc1ccccc1chebi:17169pubchem:3559images/rdkit/benzaldehyde(aq).gifhttps://rest.kegg.jp/get/C00261/image
3NADH(aq)kegg:C00004['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-NNC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...chebi:16908pubchem:3306images/rdkit/NADH(aq).gifhttps://rest.kegg.jp/get/C00004/image
41-butanol(aq)kegg:C06142[]InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-NCCCCOchebi:28885pubchem:8398images/rdkit/1-butanol(aq).gifhttps://rest.kegg.jp/get/C06142/image
..............................
1047D-Ribulose 5-phosphatekegg:C00199['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p...NoneNonechebi:17363pubchem:3499Nonehttps://rest.kegg.jp/get/C00199/image
1048Formaldehydekegg:C00067['formaldehyde(aq)', 'Formaldehyde']NoneNonechebi:16842pubchem:3367Nonehttps://rest.kegg.jp/get/C00067/image
1049D-arabino-Hex-3-ulose 6-phosphatekegg:C06019['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar...NoneNonechebi:27973pubchem:8291Nonehttps://rest.kegg.jp/get/C06019/image
1050D-Fructose 6-phosphatekegg:C00085['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p...NoneNonechebi:15946pubchem:3385Nonehttps://rest.kegg.jp/get/C00085/image
1051,-trehalose 6-phosphate(aq)kegg:C00689[\"alpha,alpha'-trehalose 6-phosphate\", ',-treh...NoneNonechebi:18283pubchem:3958Nonehttps://rest.kegg.jp/get/C00689/image
\n", + "

1052 rows × 9 columns

\n", + "
" + ], + "text/plain": [ + " name kegg \n", + "0 benzyl alcohol(aq) kegg:C00556 \\\n", + "1 NAD(aq) kegg:C00003 \n", + "2 benzaldehyde(aq) kegg:C00261 \n", + "3 NADH(aq) kegg:C00004 \n", + "4 1-butanol(aq) kegg:C06142 \n", + "... ... ... \n", + "1047 D-Ribulose 5-phosphate kegg:C00199 \n", + "1048 Formaldehyde kegg:C00067 \n", + "1049 D-arabino-Hex-3-ulose 6-phosphate kegg:C06019 \n", + "1050 D-Fructose 6-phosphate kegg:C00085 \n", + "1051 ,-trehalose 6-phosphate(aq) kegg:C00689 \n", + "\n", + " synonyms \n", + "0 [] \\\n", + "1 ['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', '... \n", + "2 [] \n", + "3 ['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)'] \n", + "4 [] \n", + "... ... \n", + "1047 ['D-ribulose 5-phosphate(aq)', 'D-Ribulose 5-p... \n", + "1048 ['formaldehyde(aq)', 'Formaldehyde'] \n", + "1049 ['D-arabino-3-hexulose 6-phosphate(aq)', 'D-ar... \n", + "1050 ['D-fructose 6-phosphate(aq)', 'D-Fructose 6-p... \n", + "1051 [\"alpha,alpha'-trehalose 6-phosphate\", ',-treh... \n", + "\n", + " inchikey \n", + "0 InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N \\\n", + "1 InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O \n", + "2 InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N \n", + "3 InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N \n", + "4 InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N \n", + "... ... \n", + "1047 None \n", + "1048 None \n", + "1049 None \n", + "1050 None \n", + "1051 None \n", + "\n", + " smiles chebis \n", + "0 OCc1ccccc1 chebi:17987 \\\n", + "1 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O... chebi:15846 \n", + "2 O=Cc1ccccc1 chebi:17169 \n", + "3 NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)... chebi:16908 \n", + "4 CCCCO chebi:28885 \n", + "... ... ... \n", + "1047 None chebi:17363 \n", + "1048 None chebi:16842 \n", + "1049 None chebi:27973 \n", + "1050 None chebi:15946 \n", + "1051 None chebi:18283 \n", + "\n", + " pubchems rdkit_img \n", + "0 pubchem:3836 images/rdkit/benzyl alcohol(aq).gif \\\n", + "1 pubchem:3305 images/rdkit/NAD(aq).gif \n", + "2 pubchem:3559 images/rdkit/benzaldehyde(aq).gif \n", + "3 pubchem:3306 images/rdkit/NADH(aq).gif \n", + "4 pubchem:8398 images/rdkit/1-butanol(aq).gif \n", + "... ... ... \n", + "1047 pubchem:3499 None \n", + "1048 pubchem:3367 None \n", + "1049 pubchem:8291 None \n", + "1050 pubchem:3385 None \n", + "1051 pubchem:3958 None \n", + "\n", + " kegg_img \n", + "0 https://rest.kegg.jp/get/C00556/image \n", + "1 https://rest.kegg.jp/get/C00003/image \n", + "2 https://rest.kegg.jp/get/C00261/image \n", + "3 https://rest.kegg.jp/get/C00004/image \n", + "4 https://rest.kegg.jp/get/C06142/image \n", + "... ... \n", + "1047 https://rest.kegg.jp/get/C00199/image \n", + "1048 https://rest.kegg.jp/get/C00067/image \n", + "1049 https://rest.kegg.jp/get/C06019/image \n", + "1050 https://rest.kegg.jp/get/C00085/image \n", + "1051 https://rest.kegg.jp/get/C00689/image \n", + "\n", + "[1052 rows x 9 columns]" + ] + }, + "execution_count": 24, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "df" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "be5c1b7f", + "metadata": {}, "outputs": [], "source": [] } diff --git a/maxime/final_compound_csv.csv b/maxime/final_compound_csv.csv index 6cbe66b..3cd2563 100644 --- a/maxime/final_compound_csv.csv +++ b/maxime/final_compound_csv.csv @@ -1,14 +1,14 @@ name,kegg,synonyms,inchikey,smiles,chebis,pubchems,rdkit_img,kegg_img -benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/C00556/image -NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/C00003/image -benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/C00261/image -NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/C00004/image -1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/C06142/image -butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/C01412/image -cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/C00854/image -cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/C00414/image -ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/C00469/image -acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/C00084/image +benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/C00556/image +NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/C00003/image +benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/C00261/image +NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/C00004/image +1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/C06142/image +butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/C01412/image +cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/C00854/image +cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/C00414/image +ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/C00469/image +acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/C00084/image AP-NAD(aq),COCO:COCOM00012,[],,,,,, AP-NADH(aq),COCO:COCOM00013,[],,,,,, desamino NAD(aq),,[],,,,,, @@ -17,62 +17,62 @@ desamino NADH(aq),,[],,,,,, NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image hexanal,,[],,,,,, NADH,,[],,,,,, -cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/C08492/image -cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/C16310/image -trans-2-hexen-1-ol,,[],,,,,images/rdkit/trans-2-hexen-1-ol.gif, -trans-2-hexenal,,[],,,,,images/rdkit/trans-2-hexenal.gif, -1-nonanol,,[],,,,,images/rdkit/1-nonanol.gif, -nonanal,,[],,,,,images/rdkit/nonanal.gif, -1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/C00756/image -octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/C01545/image -1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/C05979/image -propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/C00479/image -2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/C01845/image -acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/C00207/image -vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/C00473/image -vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/C00376/image -L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/C00263/image -L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/C00441/image -NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/C00006/image -NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/C00005/image -"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/C03044/image -(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/C00810/image -glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/C00116/image -dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/C00184/image -sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C00093/image -dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image -sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/C00093/image -allitol(aq),,[],,,,,images/rdkit/allitol(aq).gif, -D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/C06468/image -D-glycero-D-glucoheptitol(aq),,[],,,,,images/rdkit/D-glycero-D-glucoheptitol(aq).gif, -D-sedoheptulose(aq),,[],,,,,images/rdkit/D-sedoheptulose(aq).gif, -L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/C01507/image -L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/C00247/image -ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/C00474/image -D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/C00309/image -D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/C00794/image -D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/C00095/image -L-threitol(aq),,[],,,,,images/rdkit/L-threitol(aq).gif, -L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/C02045/image -xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/C00379/image -D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/C00310/image -L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/C00312/image -galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/C01697/image -D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/C00795/image -D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/C00392/image -D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00644/image -D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00085/image -myo-inositol,,[],,,,,images/rdkit/myo-inositol.gif, +cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/C08492/image +cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/C16310/image +trans-2-hexen-1-ol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-2-hexen-1-ol.gif, +trans-2-hexenal,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-2-hexenal.gif, +1-nonanol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-nonanol.gif, +nonanal,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nonanal.gif, +1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/C00756/image +octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/C01545/image +1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/C05979/image +propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/C00479/image +2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/C01845/image +acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/C00207/image +vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/C00473/image +vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/C00376/image +L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/C00263/image +L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/C00441/image +NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/C00006/image +NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/C00005/image +"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/C03044/image +(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/C00810/image +glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/C00116/image +dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/C00184/image +sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C00093/image +dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/C00093/image +allitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/allitol(aq).gif, +D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/C06468/image +D-glycero-D-glucoheptitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glycero-D-glucoheptitol(aq).gif, +D-sedoheptulose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-sedoheptulose(aq).gif, +L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/C01507/image +L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/C00247/image +ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/C00474/image +D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/C00309/image +D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/C00794/image +D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/C00095/image +L-threitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-threitol(aq).gif, +L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/C02045/image +xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/C00379/image +D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/C00310/image +L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/C00312/image +galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/C01697/image +D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/C00795/image +D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/C00392/image +D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00644/image +D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00085/image +myo-inositol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/myo-inositol.gif, 2-oxo-myo-inositol,,[],,,,,, -D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/C00181/image -quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/C00296/image -5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image -shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/C00493/image -3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/C02637/image -(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/C00258/image -hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C00168/image -glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/C00160/image -glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/C00048/image +D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/C00181/image +quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/C00296/image +5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/C00493/image +3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/C02637/image +(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/C00258/image +hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C00168/image +glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/C00160/image +glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/C00048/image 2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/C05984/image 2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/C00109/image "2,4-dihydroxybutanoate(aq)",,[],,,,,, @@ -124,26 +124,26 @@ TNADH(aq),,[],,,,,, "5β-pregnane-17α,21-diol-3,20-dione(aq)",,[],,,,,, "5β-pregnane-3α,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5β-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", +"5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", 5alpha-androstane-17alpha-ol-3-one(aq),,[],,,,,, 4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/C00535/image -"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/C00280/image +"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/C00280/image "5α-pregnane-3β,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5α-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/C00583/image -L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image -3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/C01013/image -3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C00222/image -2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C01146/image -4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/C00989/image -4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/C00232/image +"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/C00583/image +L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/C01013/image +3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C00222/image +2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C01146/image +4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/C00989/image +4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/C00232/image estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/C00951/image -estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/C00468/image -D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/C00257/image +estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/C00468/image +D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/C00257/image 5-oxo-D-gluconate(aq),,[],,,,,, -(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/C00577/image -3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00197/image -3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/C00577/image +3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00197/image +3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image "-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/C04367/image "-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/C01244/image 3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/C03351/image @@ -201,28 +201,28 @@ oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/g succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/C00042/image O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/C00007/image fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/C00122/image -(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/C00337/image -orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/C00295/image -L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/C00041/image -ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/C00014/image -L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/C00123/image -4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C00233/image -glycine(ag),,[],,,,,images/rdkit/glycine(ag).gif, -"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01186/image -(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/C03656/image -"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image -2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C03341/image -(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/C00148/image +(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/C00337/image +orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/C00295/image +L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/C00041/image +ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/C00014/image +L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/C00123/image +4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C00233/image +glycine(ag),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycine(ag).gif, +"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01186/image +(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/C03656/image +"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C03341/image +(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/C00148/image D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/C03564/image D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/C03912/image -"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/C00415/image -folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/C00504/image -"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00101/image -"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00143/image -"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00445/image +"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/C00415/image +folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/C00504/image +"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00101/image +"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00143/image +"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00445/image N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/C04137/image -L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/C00062/image -"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/C03210/image +L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/C00062/image +"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/C03210/image 2-methyliminodiacetatc(aq),,[],,,,,, H20(l),,[],,,,,, glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/C00037/image @@ -235,19 +235,19 @@ oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest 5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/C00440/image flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/C00016/image reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/C01352/image -dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/C00579/image -lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/C00248/image +dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/C00579/image +lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/C00248/image dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/C02147/image -lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/C00725/image -CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/C00920/image -H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/C00282/image -betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/C00719/image -L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/C00155/image -"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/C01026/image -L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/C00073/image +CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/C00920/image +H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/C00282/image +betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/C00719/image +L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/C00155/image +"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/C01026/image +L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/C00073/image dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/C03392/image -S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/C03173/image -dimethylpropiothetin(aq),,[],,,,,images/rdkit/dimethylpropiothetin(aq).gif, +S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/C03173/image +dimethylpropiothetin(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylpropiothetin(aq).gif, S-methyltpropiothetin(aq),,[],,,,,, S-methylmethionine(aq),,[],,,,,, trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/C01008/image @@ -295,26 +295,26 @@ aniline(aq),,[],,,,,, 4'-chloroaniline(aq),,[],,,,,, 4'-cyanoacetanilide(aq),,[],,,,,, 4'-cyanoaniline(aq),,[],,,,,, -ethyl 4-acetamidobenzoate(aq),,[],,,,,images/rdkit/ethyl 4-acetamidobenzoate(aq).gif, -ethyl 4-aminobenzoate(aq),,[],,,,,images/rdkit/ethyl 4-aminobenzoate(aq).gif, -4'-methoxyacetanilide(aq),,[],,,,,images/rdkit/4'-methoxyacetanilide(aq).gif, +ethyl 4-acetamidobenzoate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethyl 4-acetamidobenzoate(aq).gif, +ethyl 4-aminobenzoate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethyl 4-aminobenzoate(aq).gif, +4'-methoxyacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-methoxyacetanilide(aq).gif, 4'-methoxyaniline(aq),,[],,,,,, -4'-methylacetanilide(aq),,[],,,,,images/rdkit/4'-methylacetanilide(aq).gif, -p-toluidine(aq),,[],,,,,images/rdkit/p-toluidine(aq).gif, -4'-nitroacetanilide(aq),,[],,,,,images/rdkit/4'-nitroacetanilide(aq).gif, +4'-methylacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-methylacetanilide(aq).gif, +p-toluidine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/p-toluidine(aq).gif, +4'-nitroacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-nitroacetanilide(aq).gif, 4'-nitroaniline(aq),,[],,,,,, "α,α,α-trifluoro-m-acetanilide(aq)",,[],,,,,, -"α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", -choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/C00114/image -O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/C01996/image -L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/C02571/image -butyryl-CoA(aq),,[],,,,,images/rdkit/butyryl-CoA(aq).gif, +"α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", +choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/C00114/image +O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/C01996/image +L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/C02571/image +butyryl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/butyryl-CoA(aq).gif, L-butyrylcarnitine(aq),,[],,,,,, -propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/C00100/image -L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/C03017/image -formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/C00798/image -formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/C02405/image -acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/C00033/image +propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/C00100/image +L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/C03017/image +formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/C00798/image +formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/C02405/image +acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/C00033/image orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/C00009/image acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/C00332/image palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/C00154/image @@ -338,48 +338,48 @@ sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https:// UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/C00029/image D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/C00015/image -"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/C00689/image -cycloheptaamylose(aq),,[],,,,,images/rdkit/cycloheptaamylose(aq).gif, -cyclohexaamylose(aq),,[],,,,,images/rdkit/cyclohexaamylose(aq).gif, -cyclooctaamylose(aq),,[],,,,,images/rdkit/cyclooctaamylose(aq).gif, -cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/C00185/image -cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/C06219/image -laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/C02048/image +"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/C00689/image +cycloheptaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cycloheptaamylose(aq).gif, +cyclohexaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexaamylose(aq).gif, +cyclooctaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctaamylose(aq).gif, +cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/C00185/image +cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/C06219/image +laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/C02048/image laminaritetraose(aq),,[],,,,,, laminaritriose(aq),,[],,,,,, -alpha-D-glucose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, +alpha-D-glucose 1-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, ",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/C01083/image 1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/C01235/image -raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/C00492/image -myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/C00137/image -stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/C01613/image -sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/C00482/image -1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/C01175/image -adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/C00212/image -adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/C00147/image -D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00620/image -2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/C05512/image -hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/C00262/image +raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/C00492/image +myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/C00137/image +stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/C01613/image +sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/C00482/image +1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/C01175/image +adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/C00212/image +adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/C00147/image +D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00620/image +2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/C05512/image +hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/C00262/image 2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/C00672/image -guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/C00387/image -guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/C00242/image -inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/C00294/image -alpha-D-ribose 1-phosphate(aq),,[],,,,,images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, -nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/C00153/image -nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/C03150/image -xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/C01762/image -xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/C00385/image -thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/C00178/image -5-methyluridine(aq),,[],,,,,images/rdkit/5-methyluridine(aq).gif, -alpha-D-ribose-1-phosphate,,[],,,,,images/rdkit/alpha-D-ribose-1-phosphate.gif, -uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/C00299/image -uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/C00106/image -thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/C00214/image -2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/C00559/image +guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/C00387/image +guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/C00242/image +inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/C00294/image +alpha-D-ribose 1-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, +nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/C00153/image +nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/C03150/image +xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/C01762/image +xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/C00385/image +thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/C00178/image +5-methyluridine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-methyluridine(aq).gif, +alpha-D-ribose-1-phosphate,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-ribose-1-phosphate.gif, +uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/C00299/image +uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/C00106/image +thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/C00214/image +2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/C00559/image 5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/C00119/image -AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/C00020/image -pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/C00013/image -5-amino-4-imidazolecarboxamide(aq),,[],,,,,images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, +AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/C00020/image +pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/C00013/image +5-amino-4-imidazolecarboxamide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, 5-phospho-alpha-D-ribose 1-dipihosphate(aq),,[],,,,,, 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq),,[],,,,,, GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/C00144/image @@ -421,18 +421,18 @@ norpyridoxal(aq),,[],,,,,, pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/C00534/image pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/C00250/image "dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/C04268/image -dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/C11907/image -L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/C00956/image -2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/C00322/image -3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image -O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/C01005/image -6-amino-D-glucose(aq),,[],,,,,images/rdkit/6-amino-D-glucose(aq).gif, -6-amino-D-glucose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, -D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/C00159/image -D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00275/image -D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03384/image -"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/C00354/image -3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/C00882/image +dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/C11907/image +L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/C00956/image +2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/C00322/image +3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/C01005/image +6-amino-D-glucose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-glucose(aq).gif, +6-amino-D-glucose 6-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, +D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/C00159/image +D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00275/image +D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03384/image +"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/C00354/image +3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/C00882/image lysozyme(aq),,[],,,,,, phospholysozyme(aq),,[],,,,,, phosvitin(aq),,[],,,,,, @@ -456,9 +456,9 @@ phosphocyclocreatine(aq),,[],,,,,, "adenosine 5'-(alpha, beta-methylene)diphosphate(aq)",,[],,,,,, N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/C05945/image N-omega-phospho-L-arginine(aq),,[],,,,,, -taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/C01959/image +taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/C01959/image N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/C03149/image -lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/C14177/image +lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/C14177/image N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/C14178/image (R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/C01107/image (R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/C01143/image @@ -501,10 +501,10 @@ GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/g CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/C00063/image O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/C00346/image CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/C00570/image -phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/C00588/image +phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/C00588/image CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/C00307/image -N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image -UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/C00043/image +N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/C00043/image dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/C00842/image CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/C00501/image GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/C00394/image @@ -539,14 +539,14 @@ D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://re D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/C01113/image 4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/C03360/image 4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/C00870/image -phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/C02734/image -phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/C00146/image +phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/C02734/image +phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/C00146/image (R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/C00197/image phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/C00074/image -pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/C00022/image -L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/C01005/image -phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/C03149/image -D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/C00121/image +pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/C00022/image +L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/C01005/image +phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/C03149/image +D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/C00121/image L-alpha-glycerophosphate(aq),,[],,,,,, adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/C00575/image 2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/C00968/image @@ -562,35 +562,35 @@ maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/C01835/image panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/C00713/image palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/C01742/image -D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/C19636/image +D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/C19636/image -gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/C08240/image -D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/C05402/image -lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/C07064/image -ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/C01882/image -L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/C00152/image +lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/C07064/image +ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/C01882/image +L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/C00152/image γ-glutamohydroxamic acid(aq),,[],,,,,, -hydroxylamine(aq),,[],,,,,images/rdkit/hydroxylamine(aq).gif, -carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/C01563/image -urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/C00086/image -cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/C07761/image -2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/C02595/image -7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/C07756/image -penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/C05551/image -6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/C02954/image -phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/C07086/image +hydroxylamine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hydroxylamine(aq).gif, +carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/C01563/image +urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/C00086/image +cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/C07761/image +2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/C02595/image +7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/C07756/image +penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/C05551/image +6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/C02954/image +phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/C07086/image penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/C05551/image 6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/C08126/image 6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image -phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/C02181/image -phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/C05598/image -N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/C02712/image -pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/C00864/image -H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,images/rdkit/H2O.gif,https://rest.kegg.jp/get/C00001/image -pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/C00522/image -N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/C00438/image -L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/C03703/image -ampicillin(aq),,[],,,,,images/rdkit/ampicillin(aq).gif, +phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/C02181/image +phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/C05598/image +N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/C02712/image +pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/C00864/image +H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/H2O.gif,https://rest.kegg.jp/get/C00001/image +pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/C00522/image +N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/C00438/image +L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/C03703/image +ampicillin(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ampicillin(aq).gif, ampicillinoic acid(aq),,[],,,,,, penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/C06567/image phenoxymethylpenicillin(aq),,[],,,,,, @@ -605,63 +605,63 @@ triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp -nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/C00455/image ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/C00002/image ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/C00081/image -IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/C00104/image -diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/C00013/image -phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/C00009/image +IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/C00104/image +diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/C00013/image +phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/C00009/image "D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/C01182/image -erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03394/image -glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image -2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C00673/image -"5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", -propionaldehyde(aq),,[],,,,,images/rdkit/propionaldehyde(aq).gif, +erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03394/image +glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C00673/image +"5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", +propionaldehyde(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propionaldehyde(aq).gif, methylerythrulose 1-phosphate(aq),,[],,,,,, -glycerone phosphate (aq),,[],,,,,images/rdkit/glycerone phosphate (aq).gif, -6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/C04442/image -L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01099/image -(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image -2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/C06159/image -2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/C00684/image -L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01131/image -2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/C01286/image -D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C06019/image -N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/C00270/image -N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/C00645/image -4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/C01127/image -(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02614/image -"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/C04348/image -"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image -propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/C00163/image -L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/C00078/image -indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/C00463/image -cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/C00417/image -3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image -2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00631/image -(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C03561/image -cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image -(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C01144/image -trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image -(3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, -cis-hex-2-enoyl-CoA(aq),,[],,,,,images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, -(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05268/image -trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05271/image -1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C03506/image -(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/C00497/image -maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/C01384/image -2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/C01732/image -(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02612/image -2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/C02226/image -gamma-fluoroglutamate(aq),,[],,,,,images/rdkit/gamma-fluoroglutamate(aq).gif, +glycerone phosphate (aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerone phosphate (aq).gif, +6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/C04442/image +L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01099/image +(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/C06159/image +2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/C00684/image +L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01131/image +2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/C01286/image +D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C06019/image +N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/C00270/image +N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/C00645/image +4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/C01127/image +(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02614/image +"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/C04348/image +"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/C00163/image +L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/C00078/image +indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/C00463/image +cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/C00417/image +3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00631/image +(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C03561/image +cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image +(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C01144/image +trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image +(3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, +cis-hex-2-enoyl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, +(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05268/image +trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05271/image +1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C03506/image +(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/C00497/image +maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/C01384/image +2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/C01732/image +(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02612/image +2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/C02226/image +gamma-fluoroglutamate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/gamma-fluoroglutamate(aq).gif, cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, -5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/C02237/image -urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/C00785/image -"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/C03680/image +5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/C02237/image +urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/C00785/image +"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/C03680/image cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/C04246/image -"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image -dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/C00922/image +"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/C00922/image DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image -L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/C03618/image -L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/C00135/image +L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/C03618/image +L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/C00135/image L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/C00079/image trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/C00423/image beta-alanylpantetheine(aq),,[],,,,,, @@ -699,58 +699,58 @@ beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https: GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/C02280/image (R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/C01213/image (S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/C00683/image -all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/C00376/image -11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/C02110/image -"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C01595/image -"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C04056/image -D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/C01796/image -D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/C02022/image -D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/C00216/image -L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/C01019/image -L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/C01721/image -L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/C00259/image -L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/C00508/image +all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/C00376/image +11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/C02110/image +"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C01595/image +"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C04056/image +D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/C01796/image +D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/C02022/image +D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/C00216/image +L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/C01019/image +L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/C01721/image +L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/C00259/image +L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/C00508/image -D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/C01487/image -D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/C06464/image -D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/C00476/image -D-rhamnose(aq),,[],,,,,images/rdkit/D-rhamnose(aq).gif, -D-rhamnulose(aq),,[],,,,,images/rdkit/D-rhamnulose(aq).gif, -6-amino-D-fructose 6-phosphate(aq),,[],,,,,images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, -D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00352/image -D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/C00333/image -D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/C00558/image -D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/C00191/image -D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/C00905/image -D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C01112/image +D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/C06464/image +D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/C00476/image +D-rhamnose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-rhamnose(aq).gif, +D-rhamnulose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-rhamnulose(aq).gif, +6-amino-D-fructose 6-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, +D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00352/image +D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/C00333/image +D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/C00558/image +D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/C00191/image +D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/C00905/image +D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C01112/image L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/C00507/image -L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/C00861/image -L-mannose(aq),,[],,,,,images/rdkit/L-mannose(aq).gif, -L-fructose(aq),,[],,,,,images/rdkit/L-fructose(aq).gif, -keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C00166/image -enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C02763/image -keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C00036/image -enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C03981/image -isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00129/image -dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00235/image -methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/C02295/image -D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C06156/image -"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/C01231/image +L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/C00861/image +L-mannose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-mannose(aq).gif, +L-fructose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fructose(aq).gif, +keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C00166/image +enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C02763/image +keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C00036/image +enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C03981/image +isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00129/image +dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00235/image +methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/C02295/image +D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C06156/image +"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/C01231/image -D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image 6-thioglucose 6-phosphate(aq),,[],,,,,, 6-thioglucose I-phosphate(aq),,[],,,,,, -N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image -"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01142/image -D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/C00515/image -"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image -2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/C02930/image -"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/C04105/image -cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/C02480/image -tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/C03178/image -xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/C03314/image -L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,images/rdkit/L-valine.gif,https://rest.kegg.jp/get/C00183/image +N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01142/image +D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/C00515/image +"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/C02930/image +"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/C04105/image +cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/C02480/image +tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/C03178/image +xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/C03314/image +L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-valine.gif,https://rest.kegg.jp/get/C00183/image tRNA(Val),kegg:C01653,[],,,chebi:29183,pubchem:4802,, -AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,images/rdkit/AMP.gif,https://rest.kegg.jp/get/C00020/image -diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/C00013/image +AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/AMP.gif,https://rest.kegg.jp/get/C00020/image +diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/C00013/image L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/C02554/image propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/C00100/image L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/C03406/image @@ -813,35 +813,35 @@ cyclobutanone(sln),,[],,,,,, cyclobutanol(sln),,[],,,,,, cycloheptanone(sln),,[],,,,,, cycloheptanol(sln),,[],,,,,, -cyclohexanone(sln),,[],,,,,images/rdkit/cyclohexanone(sln).gif, -cyclohexanol(sln),,[],,,,,images/rdkit/cyclohexanol(sln).gif, -cyclooctanone(sln),,[],,,,,images/rdkit/cyclooctanone(sln).gif, -cyclooctanol(sln),,[],,,,,images/rdkit/cyclooctanol(sln).gif, -cyclopentanone(sln),,[],,,,,images/rdkit/cyclopentanone(sln).gif, -cyclopentanol(sln),,[],,,,,images/rdkit/cyclopentanol(sln).gif, -2-heptanone(sln),,[],,,,,images/rdkit/2-heptanone(sln).gif, -(S)-2-heptanol(sln),,[],,,,,images/rdkit/(S)-2-heptanol(sln).gif, -2-hexanone(sln),,[],,,,,images/rdkit/2-hexanone(sln).gif, -(±)-2-hexanol(sln),,[],,,,,images/rdkit/(±)-2-hexanol(sln).gif, -2-methyl-1-cyclohexanone(sln),,[],,,,,images/rdkit/2-methyl-1-cyclohexanone(sln).gif, -(±)-cis-2-methyl-1-cyclohexanol(sln),,[],,,,,images/rdkit/(±)-cis-2-methyl-1-cyclohexanol(sln).gif, -(±)-trans-2-methyl-1-cyclohexanol(sln),,[],,,,,images/rdkit/(±)-trans-2-methyl-1-cyclohexanol(sln).gif, -2-octanone(sln),,[],,,,,images/rdkit/2-octanone(sln).gif, -(S)-(+)-2-octanol(sln),,[],,,,,images/rdkit/(S)-(+)-2-octanol(sln).gif, -2-pentanone(sln),,[],,,,,images/rdkit/2-pentanone(sln).gif, -(±)-2-pentanol(sln),,[],,,,,images/rdkit/(±)-2-pentanol(sln).gif, -2-phenyl-1-cyclohexanone(sln),,[],,,,,images/rdkit/2-phenyl-1-cyclohexanone(sln).gif, -(±)-cis-2-phenyl-1-cyclohexanol(sln),,[],,,,,images/rdkit/(±)-cis-2-phenyl-1-cyclohexanol(sln).gif, -(±)-trans-2-phenyl-1-cyclohexanol(sln),,[],,,,,images/rdkit/(±)-trans-2-phenyl-1-cyclohexanol(sln).gif, -1-phenyl-1-ethanone(sln),,[],,,,,images/rdkit/1-phenyl-1-ethanone(sln).gif, +cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanone(sln).gif, +cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanol(sln).gif, +cyclooctanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctanone(sln).gif, +cyclooctanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctanol(sln).gif, +cyclopentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclopentanone(sln).gif, +cyclopentanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclopentanol(sln).gif, +2-heptanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-heptanone(sln).gif, +(S)-2-heptanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-2-heptanol(sln).gif, +2-hexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-hexanone(sln).gif, +(±)-2-hexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-2-hexanol(sln).gif, +2-methyl-1-cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methyl-1-cyclohexanone(sln).gif, +(±)-cis-2-methyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-cis-2-methyl-1-cyclohexanol(sln).gif, +(±)-trans-2-methyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-trans-2-methyl-1-cyclohexanol(sln).gif, +2-octanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-octanone(sln).gif, +(S)-(+)-2-octanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-(+)-2-octanol(sln).gif, +2-pentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-pentanone(sln).gif, +(±)-2-pentanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-2-pentanol(sln).gif, +2-phenyl-1-cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-phenyl-1-cyclohexanone(sln).gif, +(±)-cis-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-cis-2-phenyl-1-cyclohexanol(sln).gif, +(±)-trans-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-trans-2-phenyl-1-cyclohexanol(sln).gif, +1-phenyl-1-ethanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-ethanone(sln).gif, (±)-cis-2-phenyl-1-ethanol(sln),,[],,,,,, -1-phenyl-1-heptanone(sln),,[],,,,,images/rdkit/1-phenyl-1-heptanone(sln).gif, +1-phenyl-1-heptanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-heptanone(sln).gif, (±)-cis-2-phenyl-1-heptanol(sln),,[],,,,,, -1-phenyl-1-hexanone(sln),,[],,,,,images/rdkit/1-phenyl-1-hexanone(sln).gif, +1-phenyl-1-hexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-hexanone(sln).gif, (±)-cis-2-phenyl-1-hexanol(sln),,[],,,,,, -1-phenyl-1-pentanone(sln),,[],,,,,images/rdkit/1-phenyl-1-pentanone(sln).gif, +1-phenyl-1-pentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-pentanone(sln).gif, (±)-cis-2-phenyl-1-pentanol(sln),,[],,,,,, -1-phenyl-1-propanone(sln),,[],,,,,images/rdkit/1-phenyl-1-propanone(sln).gif, +1-phenyl-1-propanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-propanone(sln).gif, (±)-cis-2-phenyl-1-propanol(sln),,[],,,,,, NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/C00006/image NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/C00005/image @@ -919,44 +919,44 @@ benzoic acid adenylate(aq),,[],,,,,, 3-hydroxybenzoic acid adenylate(aq),,[],,,,,, 4-hydroxybenzoic acid(aq),,[],,,,,, 4-hydroxybenzoic acid adenylate(aq),,[],,,,,, -3-hydroxy-4-methylbenzoic acid(aq),,[],,,,,images/rdkit/3-hydroxy-4-methylbenzoic acid(aq).gif, +3-hydroxy-4-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-hydroxy-4-methylbenzoic acid(aq).gif, 3-hydroxy-4-methylbenzoic acid adenylate(aq),,[],,,,,, -3-methylbenzoic acid(aq),,[],,,,,images/rdkit/3-methylbenzoic acid(aq).gif, +3-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-methylbenzoic acid(aq).gif, 3-methylbenzoic acid adenylate(aq),,[],,,,,, -4-methylbenzoic acid(aq),,[],,,,,images/rdkit/4-methylbenzoic acid(aq).gif, +4-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-methylbenzoic acid(aq).gif, 4-methylbenzoic acid adenylate(aq),,[],,,,,, -Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/C05945/image -adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/C00224/image +Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/C05945/image +adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/C00224/image deoxynucleoside triphosphate(aq),,[],,,,,, polyd-A-Tn(aq),,[],,,,,, polyd-A-Tn+1(aq),,[],,,,,, benzyl alcohol(sln),,[],,,,,, butyl acetate(sln),,[],,,,,, -benzyl acetate(sln),,[],,,,,images/rdkit/benzyl acetate(sln).gif, -1-butanol(sln),,[],,,,,images/rdkit/1-butanol(sln).gif, +benzyl acetate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzyl acetate(sln).gif, +1-butanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butanol(sln).gif, butyl decanoate(sln),,[],,,,,, -1-decanoic acid(sln),,[],,,,,images/rdkit/1-decanoic acid(sln).gif, -"1,2-dioctanoyl glycerol(sln)",,[],,,,,"images/rdkit/1,2-dioctanoyl glycerol(sln).gif", -1-mono-octanoyl glycerol(sln),,[],,,,,images/rdkit/1-mono-octanoyl glycerol(sln).gif, -2-mono-octanoyl glycerol(sln),,[],,,,,images/rdkit/2-mono-octanoyl glycerol(sln).gif, -"1,3-dioctanoyl glycerol(sln)",,[],,,,,"images/rdkit/1,3-dioctanoyl glycerol(sln).gif", -dodecyl dodecanoate(sln),,[],,,,,images/rdkit/dodecyl dodecanoate(sln).gif, -1-dodecanol(sln),,[],,,,,images/rdkit/1-dodecanol(sln).gif, -1-dodecanoic acid(sln),,[],,,,,images/rdkit/1-dodecanoic acid(sln).gif, -D-glucose(sln),,[],,,,,images/rdkit/D-glucose(sln).gif, +1-decanoic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-decanoic acid(sln).gif, +"1,2-dioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2-dioctanoyl glycerol(sln).gif", +1-mono-octanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-mono-octanoyl glycerol(sln).gif, +2-mono-octanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-mono-octanoyl glycerol(sln).gif, +"1,3-dioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,3-dioctanoyl glycerol(sln).gif", +dodecyl dodecanoate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dodecyl dodecanoate(sln).gif, +1-dodecanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-dodecanol(sln).gif, +1-dodecanoic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-dodecanoic acid(sln).gif, +D-glucose(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucose(sln).gif, 1-dodecanoyl D-glucose ester(sln),,[],,,,,, -(-)-menthol(sln),,[],,,,,images/rdkit/(-)-menthol(sln).gif, -(-)-menthyl dodecanoate(sln),,[],,,,,images/rdkit/(-)-menthyl dodecanoate(sln).gif, -oleic acid(sln),,[],,,,,images/rdkit/oleic acid(sln).gif, -1-butyl oleate(sln),,[],,,,,images/rdkit/1-butyl oleate(sln).gif, -(R)-(+)-1-phenyl-1-butanol(sln),,[],,,,,images/rdkit/(R)-(+)-1-phenyl-1-butanol(sln).gif, +(-)-menthol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(-)-menthol(sln).gif, +(-)-menthyl dodecanoate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(-)-menthyl dodecanoate(sln).gif, +oleic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/oleic acid(sln).gif, +1-butyl oleate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butyl oleate(sln).gif, +(R)-(+)-1-phenyl-1-butanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-butanol(sln).gif, (R)-(+)-1-phenyl 1-butyl acetate(sln),,[],,,,,, -(R)-(+)-1-phenyl ethanol(sln),,[],,,,,images/rdkit/(R)-(+)-1-phenyl ethanol(sln).gif, +(R)-(+)-1-phenyl ethanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl ethanol(sln).gif, (R)-(+)-1-phenyl ethyl acetate(sln),,[],,,,,, -(R)-(+)-1-phenyl-1-propanol(sln),,[],,,,,images/rdkit/(R)-(+)-1-phenyl-1-propanol(sln).gif, -(R)-(+)-1-phenyl-1-propyl acetate(sln),,[],,,,,images/rdkit/(R)-(+)-1-phenyl-1-propyl acetate(sln).gif, -"1,2,3-trioctanoyl glycerol(sln)",,[],,,,,"images/rdkit/1,2,3-trioctanoyl glycerol(sln).gif", -1-monooctanoyl glycerol(sln),,[],,,,,images/rdkit/1-monooctanoyl glycerol(sln).gif, +(R)-(+)-1-phenyl-1-propanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propanol(sln).gif, +(R)-(+)-1-phenyl-1-propyl acetate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propyl acetate(sln).gif, +"1,2,3-trioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2,3-trioctanoyl glycerol(sln).gif", +1-monooctanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-monooctanoyl glycerol(sln).gif, cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq),,[],,,,,, cis-2-hydroxycyclopentanemethanol-phosphate(aq),,[],,,,,, trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq),,[],,,,,, @@ -1008,13 +1008,13 @@ indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest 2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/C00204/image anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/C00108/image (3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image -trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/C00877/image -4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/C04114/image -UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/C00203/image -D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/C06463/image +trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/C00877/image +4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/C04114/image +UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/C00203/image +D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/C06463/image "(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/C05439/image "(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/C05437/image -3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/C02798/image +3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/C02798/image tRNA-Tyr(aq),kegg:C00787,[],,,chebi:29182,pubchem:4045,, L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/C02839/image tRNA-Thr(aq),kegg:C01651,[],,,chebi:29180,pubchem:4800,, From 4ae37e569181558622823403a63f0b556d1ef2bf Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 05:33:44 +0100 Subject: [PATCH 5/6] minor csv modif --- maxime/Make_final_csv.ipynb | 94 +++-- maxime/final_compound_csv.csv | 716 +++++++++++++++++----------------- 2 files changed, 409 insertions(+), 401 deletions(-) diff --git a/maxime/Make_final_csv.ipynb b/maxime/Make_final_csv.ipynb index 1077c54..900aa74 100644 --- a/maxime/Make_final_csv.ipynb +++ b/maxime/Make_final_csv.ipynb @@ -287,7 +287,7 @@ }, { "cell_type": "code", - "execution_count": 20, + "execution_count": 25, "id": "5592a9d1", "metadata": {}, "outputs": [], @@ -299,7 +299,7 @@ " rdkit_img[compound] = None\n", " kegg_img[compound] = None\n", " if cname in rdkit_d:\n", - " rdkit_img[compound] = rdkit_d[cname]\n", + " rdkit_img[compound] = f'https://github.com/maxm4/hackathon-2025/blob/main/maxime/{rdkit_d[cname]}'\n", " if not pandas.isna(row['kegg']):\n", " ckegg = row['kegg'].split()[-1] # should remove stoichiometry\n", " if ckegg in kegg_d:\n", @@ -309,7 +309,7 @@ }, { "cell_type": "code", - "execution_count": 21, + "execution_count": 26, "id": "f58821f7", "metadata": {}, "outputs": [], @@ -320,7 +320,7 @@ }, { "cell_type": "code", - "execution_count": 22, + "execution_count": 27, "id": "8b36bea4", "metadata": {}, "outputs": [ @@ -366,7 +366,7 @@ " OCc1ccccc1\n", " chebi:17987\n", " pubchem:3836\n", - " images/rdkit/benzyl alcohol(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00556/image\n", " \n", " \n", @@ -378,7 +378,7 @@ " NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...\n", " chebi:15846\n", " pubchem:3305\n", - " images/rdkit/NAD(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00003/image\n", " \n", " \n", @@ -390,7 +390,7 @@ " O=Cc1ccccc1\n", " chebi:17169\n", " pubchem:3559\n", - " images/rdkit/benzaldehyde(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00261/image\n", " \n", " \n", @@ -402,7 +402,7 @@ " NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...\n", " chebi:16908\n", " pubchem:3306\n", - " images/rdkit/NADH(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00004/image\n", " \n", " \n", @@ -414,7 +414,7 @@ " CCCCO\n", " chebi:28885\n", " pubchem:8398\n", - " images/rdkit/1-butanol(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C06142/image\n", " \n", " \n", @@ -547,18 +547,18 @@ "1050 None chebi:15946 \n", "1051 None chebi:18283 \n", "\n", - " pubchems rdkit_img \n", - "0 pubchem:3836 images/rdkit/benzyl alcohol(aq).gif \\\n", - "1 pubchem:3305 images/rdkit/NAD(aq).gif \n", - "2 pubchem:3559 images/rdkit/benzaldehyde(aq).gif \n", - "3 pubchem:3306 images/rdkit/NADH(aq).gif \n", - "4 pubchem:8398 images/rdkit/1-butanol(aq).gif \n", - "... ... ... \n", - "1047 pubchem:3499 None \n", - "1048 pubchem:3367 None \n", - "1049 pubchem:8291 None \n", - "1050 pubchem:3385 None \n", - "1051 pubchem:3958 None \n", + " pubchems rdkit_img \n", + "0 pubchem:3836 https://github.com/maxm4/hackathon-2025/blob/m... \\\n", + "1 pubchem:3305 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "2 pubchem:3559 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "3 pubchem:3306 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "4 pubchem:8398 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "... ... ... \n", + "1047 pubchem:3499 None \n", + "1048 pubchem:3367 None \n", + "1049 pubchem:8291 None \n", + "1050 pubchem:3385 None \n", + "1051 pubchem:3958 None \n", "\n", " kegg_img \n", "0 https://rest.kegg.jp/get/C00556/image \n", @@ -576,7 +576,7 @@ "[1052 rows x 9 columns]" ] }, - "execution_count": 22, + "execution_count": 27, "metadata": {}, "output_type": "execute_result" } @@ -587,7 +587,7 @@ }, { "cell_type": "code", - "execution_count": 23, + "execution_count": 28, "id": "652774c0", "metadata": {}, "outputs": [], @@ -597,7 +597,7 @@ }, { "cell_type": "code", - "execution_count": 24, + "execution_count": 29, "id": "ed2d73ea", "metadata": {}, "outputs": [ @@ -643,7 +643,7 @@ " OCc1ccccc1\n", " chebi:17987\n", " pubchem:3836\n", - " images/rdkit/benzyl alcohol(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00556/image\n", " \n", " \n", @@ -655,7 +655,7 @@ " NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...\n", " chebi:15846\n", " pubchem:3305\n", - " images/rdkit/NAD(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00003/image\n", " \n", " \n", @@ -667,7 +667,7 @@ " O=Cc1ccccc1\n", " chebi:17169\n", " pubchem:3559\n", - " images/rdkit/benzaldehyde(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00261/image\n", " \n", " \n", @@ -679,7 +679,7 @@ " NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...\n", " chebi:16908\n", " pubchem:3306\n", - " images/rdkit/NADH(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C00004/image\n", " \n", " \n", @@ -691,7 +691,7 @@ " CCCCO\n", " chebi:28885\n", " pubchem:8398\n", - " images/rdkit/1-butanol(aq).gif\n", + " https://github.com/maxm4/hackathon-2025/blob/m...\n", " https://rest.kegg.jp/get/C06142/image\n", " \n", " \n", @@ -824,18 +824,18 @@ "1050 None chebi:15946 \n", "1051 None chebi:18283 \n", "\n", - " pubchems rdkit_img \n", - "0 pubchem:3836 images/rdkit/benzyl alcohol(aq).gif \\\n", - "1 pubchem:3305 images/rdkit/NAD(aq).gif \n", - "2 pubchem:3559 images/rdkit/benzaldehyde(aq).gif \n", - "3 pubchem:3306 images/rdkit/NADH(aq).gif \n", - "4 pubchem:8398 images/rdkit/1-butanol(aq).gif \n", - "... ... ... \n", - "1047 pubchem:3499 None \n", - "1048 pubchem:3367 None \n", - "1049 pubchem:8291 None \n", - "1050 pubchem:3385 None \n", - "1051 pubchem:3958 None \n", + " pubchems rdkit_img \n", + "0 pubchem:3836 https://github.com/maxm4/hackathon-2025/blob/m... \\\n", + "1 pubchem:3305 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "2 pubchem:3559 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "3 pubchem:3306 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "4 pubchem:8398 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "... ... ... \n", + "1047 pubchem:3499 None \n", + "1048 pubchem:3367 None \n", + "1049 pubchem:8291 None \n", + "1050 pubchem:3385 None \n", + "1051 pubchem:3958 None \n", "\n", " kegg_img \n", "0 https://rest.kegg.jp/get/C00556/image \n", @@ -853,7 +853,7 @@ "[1052 rows x 9 columns]" ] }, - "execution_count": 24, + "execution_count": 29, "metadata": {}, "output_type": "execute_result" } @@ -865,7 +865,15 @@ { "cell_type": "code", "execution_count": null, - "id": "be5c1b7f", + "id": "8138055d", + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "7f8d50fc", "metadata": {}, "outputs": [], "source": [] diff --git a/maxime/final_compound_csv.csv b/maxime/final_compound_csv.csv index 3cd2563..9b501e5 100644 --- a/maxime/final_compound_csv.csv +++ b/maxime/final_compound_csv.csv @@ -1,14 +1,14 @@ name,kegg,synonyms,inchikey,smiles,chebis,pubchems,rdkit_img,kegg_img -benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/C00556/image -NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/C00003/image -benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/C00261/image -NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/C00004/image -1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/C06142/image -butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/C01412/image -cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/C00854/image -cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/C00414/image -ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/C00469/image -acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/C00084/image +benzyl alcohol(aq),kegg:C00556,[],InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N,OCc1ccccc1,chebi:17987,pubchem:3836,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/benzyl alcohol(aq).gif,https://rest.kegg.jp/get/C00556/image +NAD(aq),kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",InChIKey=BAWFJGJZGIEFAR-NNYOXOHSSA-O,NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O,chebi:15846,pubchem:3305,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/NAD(aq).gif,https://rest.kegg.jp/get/C00003/image +benzaldehyde(aq),kegg:C00261,[],InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N,O=Cc1ccccc1,chebi:17169,pubchem:3559,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/benzaldehyde(aq).gif,https://rest.kegg.jp/get/C00261/image +NADH(aq),kegg:C00004,"['NADH(aq)', 'NAD(red)(aq)', 'NAD(red)']",InChIKey=BOPGDPNILDQYTO-UHFFFAOYSA-N,NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,chebi:16908,pubchem:3306,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/NADH(aq).gif,https://rest.kegg.jp/get/C00004/image +1-butanol(aq),kegg:C06142,[],InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N,CCCCO,chebi:28885,pubchem:8398,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-butanol(aq).gif,https://rest.kegg.jp/get/C06142/image +butanal(aq),kegg:C01412,[],InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,CCCC=O,chebi:15743,pubchem:4600,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/butanal(aq).gif,https://rest.kegg.jp/get/C01412/image +cyclohexanol(aq),kegg:C00854,[],InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N,OC1CCCCC1,chebi:18099,pubchem:4111,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclohexanol(aq).gif,https://rest.kegg.jp/get/C00854/image +cyclohexanone(aq),kegg:C00414,[],InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N,O=C1CCCCC1,chebi:17854,pubchem:3704,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclohexanone(aq).gif,https://rest.kegg.jp/get/C00414/image +ethanol(aq),kegg:C00469,[],InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,chebi:16236,pubchem:3752,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ethanol(aq).gif,https://rest.kegg.jp/get/C00469/image +acetaldehyde(aq),kegg:C00084,[],InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N,CC=O,chebi:15343,pubchem:3384,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/acetaldehyde(aq).gif,https://rest.kegg.jp/get/C00084/image AP-NAD(aq),COCO:COCOM00012,[],,,,,, AP-NADH(aq),COCO:COCOM00013,[],,,,,, desamino NAD(aq),,[],,,,,, @@ -17,62 +17,62 @@ desamino NADH(aq),,[],,,,,, NAD,kegg:C00003,"['NAD(aq)', 'NAD', 'NAD(ox)(aq)', 'NAD(ox)', 'NAD+(aq)']",,,chebi:15846,pubchem:3305,,https://rest.kegg.jp/get/C00003/image hexanal,,[],,,,,, NADH,,[],,,,,, -cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/C08492/image -cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/C16310/image -trans-2-hexen-1-ol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-2-hexen-1-ol.gif, -trans-2-hexenal,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-2-hexenal.gif, -1-nonanol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-nonanol.gif, -nonanal,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nonanal.gif, -1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/C00756/image -octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/C01545/image -1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/C05979/image -propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/C00479/image -2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/C01845/image -acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/C00207/image -vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/C00473/image -vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/C00376/image -L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/C00263/image -L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/C00441/image -NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/C00006/image -NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/C00005/image -"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/C03044/image -(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/C00810/image -glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/C00116/image -dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/C00184/image -sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C00093/image -dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image -sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/C00093/image -allitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/allitol(aq).gif, -D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/C06468/image -D-glycero-D-glucoheptitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glycero-D-glucoheptitol(aq).gif, -D-sedoheptulose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-sedoheptulose(aq).gif, -L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/C01507/image -L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/C00247/image -ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/C00474/image -D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/C00309/image -D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/C00794/image -D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/C00095/image -L-threitol(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-threitol(aq).gif, -L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/C02045/image -xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/C00379/image -D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/C00310/image -L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/C00312/image -galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/C01697/image -D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/C00795/image -D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/C00392/image -D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00644/image -D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00085/image -myo-inositol,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/myo-inositol.gif, +cis-3-hexene-1-ol(aq),kegg:C08492,[],,,chebi:28857,pubchem:10685,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-3-hexene-1-ol(aq).gif,https://rest.kegg.jp/get/C08492/image +cis-3-hexenal(aq),kegg:C16310,[],,,chebi:23292,pubchem:47205618,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-3-hexenal(aq).gif,https://rest.kegg.jp/get/C16310/image +trans-2-hexen-1-ol,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/trans-2-hexen-1-ol.gif, +trans-2-hexenal,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/trans-2-hexenal.gif, +1-nonanol,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-nonanol.gif, +nonanal,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/nonanal.gif, +1-octanol(aq),kegg:C00756,[],,,chebi:16188,pubchem:4018,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-octanol(aq).gif,https://rest.kegg.jp/get/C00756/image +octanal(aq),kegg:C01545,[],,,chebi:17935,pubchem:4704,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/octanal(aq).gif,https://rest.kegg.jp/get/C01545/image +1-propanol(aq),kegg:C05979,[],,,chebi:28831,pubchem:8258,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-propanol(aq).gif,https://rest.kegg.jp/get/C05979/image +propanal(aq),kegg:C00479,[],,,chebi:17153,pubchem:3762,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/propanal(aq).gif,https://rest.kegg.jp/get/C00479/image +2-propanol(aq),kegg:C01845,[],,,chebi:17824,pubchem:4963,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-propanol(aq).gif,https://rest.kegg.jp/get/C01845/image +acetone(aq),kegg:C00207,[],,,chebi:15347,pubchem:3507,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/acetone(aq).gif,https://rest.kegg.jp/get/C00207/image +vitamin A alcohol(aq),kegg:C00473,"['vitamin A alcohol(aq)', 'retinol(aq)']",,,chebi:17336,pubchem:3756,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/vitamin A alcohol(aq).gif,https://rest.kegg.jp/get/C00473/image +vitamin A aldehyde(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/vitamin A aldehyde(aq).gif,https://rest.kegg.jp/get/C00376/image +L-homoserine(aq),kegg:C00263,[],,,chebi:15699,pubchem:3561,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-homoserine(aq).gif,https://rest.kegg.jp/get/C00263/image +L-aspartate 4-semialdehyde(aq),kegg:C00441,"['L-aspartate 4-semialdehyde(aq)', 'L-aspartate-4-semialdehyde(aq)']",,,chebi:13086,pubchem:3730,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-aspartate 4-semialdehyde(aq).gif,https://rest.kegg.jp/get/C00441/image +NADP(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/NADP(aq).gif,https://rest.kegg.jp/get/C00006/image +NADPH(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/NADPH(aq).gif,https://rest.kegg.jp/get/C00005/image +"(R,R)-2,3-butanediol(aq)",kegg:C03044,[],,,chebi:16982,pubchem:5947,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R,R)-2,3-butanediol(aq).gif",https://rest.kegg.jp/get/C03044/image +(R)-acetoin(aq),kegg:C00810,[],,,chebi:15686,pubchem:4068,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-acetoin(aq).gif,https://rest.kegg.jp/get/C00810/image +glycerol(aq),kegg:C00116,[],,,chebi:17754,pubchem:3416,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glycerol(aq).gif,https://rest.kegg.jp/get/C00116/image +dihydroxyacetone(aq),kegg:C00184,[],,,chebi:16016,pubchem:3484,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dihydroxyacetone(aq).gif,https://rest.kegg.jp/get/C00184/image +sn-glycerol 3-phosphate(aq),kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/sn-glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C00093/image +dihydroxyacetone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dihydroxyacetone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +sn-glycerol 3-phosphate,kegg:C00093,"['sn-glycerol 3-phosphate(aq)', 'sn-glycerol 3-phosphate']",,,chebi:15978,pubchem:3393,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/sn-glycerol 3-phosphate.gif,https://rest.kegg.jp/get/C00093/image +allitol(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/allitol(aq).gif, +D-psicose(aq),kegg:C06468,[],,,chebi:187912,pubchem:8700,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-psicose(aq).gif,https://rest.kegg.jp/get/C06468/image +D-glycero-D-glucoheptitol(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glycero-D-glucoheptitol(aq).gif, +D-sedoheptulose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-sedoheptulose(aq).gif, +L-iditol(aq),kegg:C01507,[],,,chebi:18202,pubchem:4675,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-iditol(aq).gif,https://rest.kegg.jp/get/C01507/image +L-sorbose(aq),kegg:C00247,[],,,chebi:48649,pubchem:3546,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-sorbose(aq).gif,https://rest.kegg.jp/get/C00247/image +ribitol(aq),kegg:C00474,[],,,chebi:15963,pubchem:3757,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ribitol(aq).gif,https://rest.kegg.jp/get/C00474/image +D-ribulose(aq),kegg:C00309,[],,,chebi:17173,pubchem:3603,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-ribulose(aq).gif,https://rest.kegg.jp/get/C00309/image +D-sorbitol(aq),kegg:C00794,[],,,chebi:17924,pubchem:4052,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-sorbitol(aq).gif,https://rest.kegg.jp/get/C00794/image +D-fructose(aq),kegg:C00095,[],,,chebi:15824,pubchem:3395,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-fructose(aq).gif,https://rest.kegg.jp/get/C00095/image +L-threitol(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-threitol(aq).gif, +L-erythrulose(aq),kegg:C02045,[],,,chebi:23958,pubchem:5134,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-erythrulose(aq).gif,https://rest.kegg.jp/get/C02045/image +xylitol(aq),kegg:C00379,[],,,chebi:17151,pubchem:3669,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/xylitol(aq).gif,https://rest.kegg.jp/get/C00379/image +D-xylulose(aq),kegg:C00310,[],,,chebi:17140,pubchem:3604,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-xylulose(aq).gif,https://rest.kegg.jp/get/C00310/image +L-xylulose(aq),kegg:C00312,[],,,chebi:17399,pubchem:3606,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-xylulose(aq).gif,https://rest.kegg.jp/get/C00312/image +galactitol(aq),kegg:C01697,[],,,chebi:16813,pubchem:4837,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/galactitol(aq).gif,https://rest.kegg.jp/get/C01697/image +D-tagatose(aq),kegg:C00795,[],,,chebi:4249,pubchem:4053,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-tagatose(aq).gif,https://rest.kegg.jp/get/C00795/image +D-mannitol(aq),kegg:C00392,[],,,chebi:16899,pubchem:3682,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-mannitol(aq).gif,https://rest.kegg.jp/get/C00392/image +D-mannitol 1-phosphate(aq),kegg:C00644,"['D-mannitol 1-phosphate(aq)', 'D-mannitol-1-phosphate(aq)']",,,chebi:16298,pubchem:3917,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-mannitol 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00644/image +D-fructose 6-phosphate(aq),kegg:C00085,"['D-fructose 6-phosphate(aq)', 'D-Fructose 6-phosphate']",,,chebi:15946,pubchem:3385,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-fructose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00085/image +myo-inositol,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/myo-inositol.gif, 2-oxo-myo-inositol,,[],,,,,, -D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/C00181/image -quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/C00296/image -5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image -shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/C00493/image -3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/C02637/image -(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/C00258/image -hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C00168/image -glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/C00160/image -glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/C00048/image +D-xylose(aq),kegg:C00181,[],,,chebi:53455,pubchem:3481,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-xylose(aq).gif,https://rest.kegg.jp/get/C00181/image +quinate(aq),kegg:C00296,[],,,chebi:29751,pubchem:3590,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/quinate(aq).gif,https://rest.kegg.jp/get/C00296/image +5-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +shikimate(aq),kegg:C00493,[],,,chebi:16119,pubchem:3776,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/shikimate(aq).gif,https://rest.kegg.jp/get/C00493/image +3-dehydroshikimate(aq),kegg:C02637,[],,,chebi:16630,pubchem:5617,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-dehydroshikimate(aq).gif,https://rest.kegg.jp/get/C02637/image +(R)-glycerate(aq),kegg:C00258,[],,,chebi:16659,pubchem:3557,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-glycerate(aq).gif,https://rest.kegg.jp/get/C00258/image +hydroxypyruvate(aq),kegg:C00168,[],,,chebi:17180,pubchem:3468,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/hydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C00168/image +glycolate(aq),kegg:C00160,[],,,chebi:29805,pubchem:3460,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glycolate(aq).gif,https://rest.kegg.jp/get/C00160/image +glyoxylate(aq),kegg:C00048,[],,,chebi:16891,pubchem:3350,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glyoxylate(aq).gif,https://rest.kegg.jp/get/C00048/image 2-hydroxybutanoate(aq),kegg:C05984,"['2-hydroxybutanoate(aq)', 'D-2-hydroxy-n-butanoate(aq)']",,,chebi:1148,pubchem:8262,,https://rest.kegg.jp/get/C05984/image 2-oxobutanoate(aq),kegg:C00109,[],,,chebi:16763,pubchem:3409,,https://rest.kegg.jp/get/C00109/image "2,4-dihydroxybutanoate(aq)",,[],,,,,, @@ -124,26 +124,26 @@ TNADH(aq),,[],,,,,, "5β-pregnane-17α,21-diol-3,20-dione(aq)",,[],,,,,, "5β-pregnane-3α,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5β-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", +"5alpha-androstane-3beta,17alpha-diol(aq)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5alpha-androstane-3beta,17alpha-diol(aq).gif", 5alpha-androstane-17alpha-ol-3-one(aq),,[],,,,,, 4-androstene-17-ol-3-one(aq),kegg:C00535,[],,,chebi:17347,pubchem:3817,,https://rest.kegg.jp/get/C00535/image -"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/C00280/image +"4-androstene-3,17-dione(aq)",kegg:C00280,[],,,chebi:16422,pubchem:3575,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-androstene-3,17-dione(aq).gif",https://rest.kegg.jp/get/C00280/image "5α-pregnane-3β,17α,21-triol-11,20-dione(aq)",,[],,,,,, "5α-pregnane-17α,21-diol-3,11,20-trione(aq)",,[],,,,,, -"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/C00583/image -L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image -3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/C01013/image -3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C00222/image -2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C01146/image -4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/C00989/image -4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/C00232/image +"1,2-propanediol(aq)",kegg:C00583,[],,,chebi:16997,pubchem:3862,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1,2-propanediol(aq).gif",https://rest.kegg.jp/get/C00583/image +L-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +3-hydroxypropanoate(aq),kegg:C01013,[],,,chebi:16510,pubchem:4258,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-hydroxypropanoate(aq).gif,https://rest.kegg.jp/get/C01013/image +3-oxopropanoate(aq),kegg:C00222,"['3-oxopropanoate(aq)', '3-oxopropanoate']",,,chebi:33190,pubchem:3522,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C00222/image +2-hydroxy-3-oxopropanoate(aq),kegg:C01146,[],,,chebi:16992,pubchem:4376,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-hydroxy-3-oxopropanoate(aq).gif,https://rest.kegg.jp/get/C01146/image +4-hydroxybutanoate(aq),kegg:C00989,[],,,chebi:16724,pubchem:4235,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-hydroxybutanoate(aq).gif,https://rest.kegg.jp/get/C00989/image +4-oxobutanoate(aq),kegg:C00232,[],,,chebi:16265,pubchem:3531,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-oxobutanoate(aq).gif,https://rest.kegg.jp/get/C00232/image estradiol-17(aq),kegg:C00951,[],,,chebi:16469,pubchem:4202,,https://rest.kegg.jp/get/C00951/image -estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/C00468/image -D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/C00257/image +estrone(aq),kegg:C00468,[],,,chebi:17263,pubchem:3751,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/estrone(aq).gif,https://rest.kegg.jp/get/C00468/image +D-gluconate(aq),kegg:C00257,[],,,chebi:18391,pubchem:3556,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-gluconate(aq).gif,https://rest.kegg.jp/get/C00257/image 5-oxo-D-gluconate(aq),,[],,,,,, -(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/C00577/image -3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00197/image -3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +(R)-glyceraldehyde(aq),kegg:C00577,"['(R)-glyceraldehyde(aq)', 'D-glyceraldehyde(aq)']",,,chebi:17378,pubchem:3856,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-glyceraldehyde(aq).gif,https://rest.kegg.jp/get/C00577/image +3-phospho-D-glycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00197/image +3-phosphohydroxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-phosphohydroxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image "-(3,5-diiodo-4-hydroxyphenyl)lactate(aq)",kegg:C04367,[],,,chebi:16122,pubchem:7011,,https://rest.kegg.jp/get/C04367/image "-(3,5-diiodo-4-hydroxyphenyl)pyruvate(aq)",kegg:C01244,[],,,chebi:17131,pubchem:4465,,https://rest.kegg.jp/get/C01244/image 3-hydroxybenzyl alcohol(aq),kegg:C03351,[],,,chebi:17069,pubchem:6192,,https://rest.kegg.jp/get/C03351/image @@ -201,28 +201,28 @@ oxalyl-CoA(aq),kegg:C00313,[],,,chebi:15535,pubchem:3607,,https://rest.kegg.jp/g succinate(aq),kegg:C00042,[],,,chebi:15741,pubchem:3344,,https://rest.kegg.jp/get/C00042/image O2(aq),kegg:C00007,"['O2(aq)', 'O2']",,,chebi:15379,pubchem:3309,,https://rest.kegg.jp/get/C00007/image fumarate(aq),kegg:C00122,"['fumarate(aq)', 'Fumarate']",,,chebi:29806,pubchem:3422,,https://rest.kegg.jp/get/C00122/image -(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/C00337/image -orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/C00295/image -L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/C00041/image -ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/C00014/image -L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/C00123/image -4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C00233/image -glycine(ag),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycine(ag).gif, -"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01186/image -(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/C03656/image -"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image -2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C03341/image -(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/C00148/image +(S)-dihydroorotate(aq),kegg:C00337,[],,,chebi:17025,pubchem:3630,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-dihydroorotate(aq).gif,https://rest.kegg.jp/get/C00337/image +orotate(aq),kegg:C00295,[],,,chebi:16742,pubchem:3589,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/orotate(aq).gif,https://rest.kegg.jp/get/C00295/image +L-alanine(aq),kegg:C00041,"['L-alanine(aq)', 'L-alanine']",,,chebi:16977,pubchem:3343,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-alanine(aq).gif,https://rest.kegg.jp/get/C00041/image +ammonia(aq),kegg:C00014,"['ammonia(aq)', 'NH3(aq)']",,,chebi:16134,pubchem:3316,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ammonia(aq).gif,https://rest.kegg.jp/get/C00014/image +L-leucine(aq),kegg:C00123,[],,,chebi:15603,pubchem:3423,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-leucine(aq).gif,https://rest.kegg.jp/get/C00123/image +4-methyl-2-oxopentanoate(aq),kegg:C00233,"['4-methyl-2-oxopentanoate(aq)', '4-methyl-2-oxopentanooate(aq)', '2-oxoisocaproate(aq)']",,,chebi:17865,pubchem:3532,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-methyl-2-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C00233/image +glycine(ag),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glycine(ag).gif, +"L-erythro-3,5-diaminohexanoate(aq)",kegg:C01186,[],,,chebi:15616,pubchem:4412,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-erythro-3,5-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01186/image +(S)-5-amino-3-oxohexanoate(aq),kegg:C03656,[],,,chebi:27713,pubchem:6434,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-5-amino-3-oxohexanoate(aq).gif,https://rest.kegg.jp/get/C03656/image +"2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-amino-4-oxopentanoate(aq),kegg:C03341,[],,,chebi:15914,pubchem:6184,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-amino-4-oxopentanoate(aq).gif,https://rest.kegg.jp/get/C03341/image +(S)-proline(aq),kegg:C00148,[],,,chebi:17203,pubchem:3448,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-proline(aq).gif,https://rest.kegg.jp/get/C00148/image D-1-pyrroline-2-carboxylate(aq),kegg:C03564,[],,,chebi:17425,pubchem:6356,,https://rest.kegg.jp/get/C03564/image D-1-pyrroline-5-carboxylate(aq),kegg:C03912,"['D-1-pyrroline-5-carboxylate(aq)', 'DL-D-1-pyrroline-5-carboxylate(aq)']",,,chebi:17388,pubchem:6642,,https://rest.kegg.jp/get/C03912/image -"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/C00415/image -folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/C00504/image -"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00101/image -"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00143/image -"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00445/image +"7,8-dihydrofolate(aq)",kegg:C00415,"['7,8-dihydrofolate(aq)', 'dihydrofolate(aq)']",,,chebi:15633,pubchem:3705,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/7,8-dihydrofolate(aq).gif",https://rest.kegg.jp/get/C00415/image +folate(aq),kegg:C00504,[],,,chebi:27470,pubchem:3787,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/folate(aq).gif,https://rest.kegg.jp/get/C00504/image +"5,6,7,8-tetrahydrofolate(aq)",kegg:C00101,"['5,6,7,8-tetrahydrofolate(aq)', 'tetrahydrofolate(aq)', 'THF(aq)', 'Tetrahydrofolate']",,,chebi:20506,pubchem:3401,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5,6,7,8-tetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00101/image +"5,10-methylenetetrahydrofolate(aq)",kegg:C00143,"['5,10-methylenetetrahydrofolate(aq)', '5,10-CH2-THF(aq)']",,,chebi:1989,pubchem:3443,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5,10-methylenetetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00143/image +"5,10-methenyltetrahydrofolate(aq)",kegg:C00445,[],,,chebi:15638,pubchem:3733,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5,10-methenyltetrahydrofolate(aq).gif",https://rest.kegg.jp/get/C00445/image N-2-(D-1-carboxyethyl)-L-arginine(aq),kegg:C04137,[],,,chebi:15805,pubchem:6823,,https://rest.kegg.jp/get/C04137/image -L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/C00062/image -"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/C03210/image +L-arginine(aq),kegg:C00062,[],,,chebi:16467,pubchem:3362,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-arginine(aq).gif,https://rest.kegg.jp/get/C00062/image +"2,2'-iminodipropanoate(aq)",kegg:C03210,[],,,chebi:17560,pubchem:6085,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2,2'-iminodipropanoate(aq).gif",https://rest.kegg.jp/get/C03210/image 2-methyliminodiacetatc(aq),,[],,,,,, H20(l),,[],,,,,, glycine(aq),kegg:C00037,[],,,chebi:15428,pubchem:3339,,https://rest.kegg.jp/get/C00037/image @@ -235,19 +235,19 @@ oxidized thioredoxin(aq),kegg:C00343,[],,,chebi:18191,pubchem:3636,,https://rest 5-methyltetrahydrofolate(aq),kegg:C00440,[],,,chebi:15641,pubchem:3729,,https://rest.kegg.jp/get/C00440/image flavin-adenine dinucleotide(aq),kegg:C00016,[],,,chebi:16238,pubchem:3318,,https://rest.kegg.jp/get/C00016/image reduced flavin-adenine dinucleotide(aq),kegg:C01352,[],,,chebi:17877,pubchem:4556,,https://rest.kegg.jp/get/C01352/image -dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/C00579/image -lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/C00248/image +dihydrolipoamide(aq),kegg:C00579,[],,,chebi:17694,pubchem:3858,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dihydrolipoamide(aq).gif,https://rest.kegg.jp/get/C00579/image +lipoamide(aq),kegg:C00248,[],,,chebi:17460,pubchem:3547,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/lipoamide(aq).gif,https://rest.kegg.jp/get/C00248/image dihydro--lipoate(aq),kegg:C02147,[],,,chebi:18047,pubchem:5225,,https://rest.kegg.jp/get/C02147/image -lipoate(aq),kegg:C00725,"['-lipoate(aq)', 'lipoate(aq)']",,,chebi:16494,pubchem:3990,,https://rest.kegg.jp/get/C00725/image -CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/C00920/image -H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/C00282/image -betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/C00719/image -L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/C00155/image -"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/C01026/image -L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/C00073/image +CoA-glutathione(aq),kegg:C00920,[],,,chebi:17586,pubchem:4174,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/CoA-glutathione(aq).gif,https://rest.kegg.jp/get/C00920/image +H2(aq),kegg:C00282,[],,,chebi:18276,pubchem:3577,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/H2(aq).gif,https://rest.kegg.jp/get/C00282/image +betaine(aq),kegg:C00719,[],,,chebi:17750,pubchem:3985,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/betaine(aq).gif,https://rest.kegg.jp/get/C00719/image +L-homocysteine(aq),kegg:C00155,[],,,chebi:17588,pubchem:3455,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-homocysteine(aq).gif,https://rest.kegg.jp/get/C00155/image +"N,N-dimethylglycine(aq)",kegg:C01026,[],,,chebi:17724,pubchem:4271,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N,N-dimethylglycine(aq).gif",https://rest.kegg.jp/get/C01026/image +L-methionine(aq),kegg:C00073,[],,,chebi:16643,pubchem:3373,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-methionine(aq).gif,https://rest.kegg.jp/get/C00073/image dimethylacetothetin(aq),kegg:C03392,[],,,chebi:4623,pubchem:6223,,https://rest.kegg.jp/get/C03392/image -S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/C03173/image -dimethylpropiothetin(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylpropiothetin(aq).gif, +S-methylthioglycolate(aq),kegg:C03173,[],,,chebi:47870,pubchem:6055,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/S-methylthioglycolate(aq).gif,https://rest.kegg.jp/get/C03173/image +dimethylpropiothetin(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dimethylpropiothetin(aq).gif, S-methyltpropiothetin(aq),,[],,,,,, S-methylmethionine(aq),,[],,,,,, trimethylsulfonium(aq),kegg:C01008,[],,,chebi:17434,pubchem:4253,,https://rest.kegg.jp/get/C01008/image @@ -295,26 +295,26 @@ aniline(aq),,[],,,,,, 4'-chloroaniline(aq),,[],,,,,, 4'-cyanoacetanilide(aq),,[],,,,,, 4'-cyanoaniline(aq),,[],,,,,, -ethyl 4-acetamidobenzoate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethyl 4-acetamidobenzoate(aq).gif, -ethyl 4-aminobenzoate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ethyl 4-aminobenzoate(aq).gif, -4'-methoxyacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-methoxyacetanilide(aq).gif, +ethyl 4-acetamidobenzoate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ethyl 4-acetamidobenzoate(aq).gif, +ethyl 4-aminobenzoate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ethyl 4-aminobenzoate(aq).gif, +4'-methoxyacetanilide(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4'-methoxyacetanilide(aq).gif, 4'-methoxyaniline(aq),,[],,,,,, -4'-methylacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-methylacetanilide(aq).gif, -p-toluidine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/p-toluidine(aq).gif, -4'-nitroacetanilide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4'-nitroacetanilide(aq).gif, +4'-methylacetanilide(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4'-methylacetanilide(aq).gif, +p-toluidine(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/p-toluidine(aq).gif, +4'-nitroacetanilide(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4'-nitroacetanilide(aq).gif, 4'-nitroaniline(aq),,[],,,,,, "α,α,α-trifluoro-m-acetanilide(aq)",,[],,,,,, -"α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", -choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/C00114/image -O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/C01996/image -L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/C02571/image -butyryl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/butyryl-CoA(aq).gif, +"α,α,α-trifluoro-m-toluidine(aq)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/α,α,α-trifluoro-m-toluidine(aq).gif", +choline(aq),kegg:C00114,[],,,chebi:15354,pubchem:3414,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/choline(aq).gif,https://rest.kegg.jp/get/C00114/image +O-acetylcholine(aq),kegg:C01996,"['O-acetylcholine(aq)', 'acetylcholine(aq)']",,,chebi:15355,pubchem:5093,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/O-acetylcholine(aq).gif,https://rest.kegg.jp/get/C01996/image +L-acetylcarnitine(aq),kegg:C02571,[],,,chebi:57589,pubchem:5567,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-acetylcarnitine(aq).gif,https://rest.kegg.jp/get/C02571/image +butyryl-CoA(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/butyryl-CoA(aq).gif, L-butyrylcarnitine(aq),,[],,,,,, -propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/C00100/image -L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/C03017/image -formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/C00798/image -formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/C02405/image -acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/C00033/image +propionyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/propionyl-CoA(aq).gif,https://rest.kegg.jp/get/C00100/image +L-propionylcarnitine(aq),kegg:C03017,[],,,chebi:28867,pubchem:5923,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-propionylcarnitine(aq).gif,https://rest.kegg.jp/get/C03017/image +formyl-CoA(aq),kegg:C00798,[],,,chebi:15522,pubchem:4056,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/formyl-CoA(aq).gif,https://rest.kegg.jp/get/C00798/image +formyl phosphate(aq),kegg:C02405,[],,,chebi:16729,pubchem:5438,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/formyl phosphate(aq).gif,https://rest.kegg.jp/get/C02405/image +acetate(aq),kegg:C00033,"['acetate(aq)', 'acetate-(aq)']",,,chebi:30089,pubchem:3335,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/acetate(aq).gif,https://rest.kegg.jp/get/C00033/image orthophospate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,,https://rest.kegg.jp/get/C00009/image acetoacetyl-CoA(aq),kegg:C00332,"['3-oxobutanoyl-CoA(aq)', 'acetoacetyl-CoA(aq)']",,,chebi:15345,pubchem:3626,,https://rest.kegg.jp/get/C00332/image palmitoyl-CoA(aq),kegg:C00154,[],,,chebi:15525,pubchem:3454,,https://rest.kegg.jp/get/C00154/image @@ -338,48 +338,48 @@ sucrose 6-phosphate(aq),kegg:C16688,[],,,chebi:131603,pubchem:51091010,,https:// UDP-glucose,kegg:C00029,"['UDPglucose(aq)', 'UDP-glucose']",,,chebi:18066,pubchem:3331,,https://rest.kegg.jp/get/C00029/image D-glucose 6-phosphate,kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image UDP,kegg:C00015,[],,,chebi:17659,pubchem:3317,,https://rest.kegg.jp/get/C00015/image -"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/C00689/image -cycloheptaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cycloheptaamylose(aq).gif, -cyclohexaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexaamylose(aq).gif, -cyclooctaamylose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctaamylose(aq).gif, -cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/C00185/image -cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/C06219/image -laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/C02048/image +"alpha,alpha'-trehalose 6-phosphate",kegg:C00689,"[""alpha,alpha'-trehalose 6-phosphate"", ',-trehalose 6-phosphate(aq)']",,,chebi:18283,pubchem:3958,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/alpha,alpha'-trehalose 6-phosphate.gif",https://rest.kegg.jp/get/C00689/image +cycloheptaamylose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cycloheptaamylose(aq).gif, +cyclohexaamylose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclohexaamylose(aq).gif, +cyclooctaamylose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclooctaamylose(aq).gif, +cellobiose(aq),kegg:C00185,[],,,chebi:17057,pubchem:3485,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cellobiose(aq).gif,https://rest.kegg.jp/get/C00185/image +cellotriose(aq),kegg:C06219,[],,,chebi:3528,pubchem:8465,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cellotriose(aq).gif,https://rest.kegg.jp/get/C06219/image +laminaribiose(aq),kegg:C02048,[],,,chebi:18411,pubchem:5137,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/laminaribiose(aq).gif,https://rest.kegg.jp/get/C02048/image laminaritetraose(aq),,[],,,,,, laminaritriose(aq),,[],,,,,, -alpha-D-glucose 1-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, +alpha-D-glucose 1-phosphate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/alpha-D-glucose 1-phosphate(aq).gif, ",-trehalose(aq)",kegg:C01083,[],,,chebi:16551,pubchem:4320,,https://rest.kegg.jp/get/C01083/image 1--D-galactosyl-myo-inositol(aq),kegg:C01235,[],,,chebi:17505,pubchem:4456,,https://rest.kegg.jp/get/C01235/image -raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/C00492/image -myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/C00137/image -stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/C01613/image -sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/C00482/image -1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/C01175/image -adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/C00212/image -adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/C00147/image -D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00620/image -2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/C05512/image -hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/C00262/image +raffinose(aq),kegg:C00492,[],,,chebi:16634,pubchem:3775,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/raffinose(aq).gif,https://rest.kegg.jp/get/C00492/image +myo-inositol(aq),kegg:C00137,[],,,chebi:17268,pubchem:3437,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/myo-inositol(aq).gif,https://rest.kegg.jp/get/C00137/image +stachyose(aq),kegg:C01613,[],,,chebi:17164,pubchem:4765,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/stachyose(aq).gif,https://rest.kegg.jp/get/C01613/image +sinapate(aq),kegg:C00482,[],,,chebi:77131,pubchem:3765,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/sinapate(aq).gif,https://rest.kegg.jp/get/C00482/image +1-sinapoyl-D-glucose(aq),kegg:C01175,[],,,chebi:16546,pubchem:4402,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-sinapoyl-D-glucose(aq).gif,https://rest.kegg.jp/get/C01175/image +adenosine(aq),kegg:C00212,[],,,chebi:16335,pubchem:3512,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/adenosine(aq).gif,https://rest.kegg.jp/get/C00212/image +adenine(aq),kegg:C00147,[],,,chebi:16708,pubchem:3447,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/adenine(aq).gif,https://rest.kegg.jp/get/C00147/image +D-ribose 1-phosphate(aq),kegg:C00620,[],,,chebi:16300,pubchem:3894,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-ribose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C00620/image +2'-deoxyinosine(aq),kegg:C05512,"[""2'-deoxyinosine(aq)"", ""'-deoxyinosine(aq)""]",,,chebi:28997,pubchem:7859,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2'-deoxyinosine(aq).gif,https://rest.kegg.jp/get/C05512/image +hypoxanthine(aq),kegg:C00262,[],,,chebi:17368,pubchem:3560,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/hypoxanthine(aq).gif,https://rest.kegg.jp/get/C00262/image 2-deoxy--D-ribose 1-phosphate(aq),kegg:C00672,[],,,chebi:28542,pubchem:3941,,https://rest.kegg.jp/get/C00672/image -guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/C00387/image -guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/C00242/image -inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/C00294/image -alpha-D-ribose 1-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, -nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/C00153/image -nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/C03150/image -xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/C01762/image -xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/C00385/image -thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/C00178/image -5-methyluridine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-methyluridine(aq).gif, -alpha-D-ribose-1-phosphate,,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/alpha-D-ribose-1-phosphate.gif, -uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/C00299/image -uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/C00106/image -thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/C00214/image -2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/C00559/image +guanosine(aq),kegg:C00387,[],,,chebi:16750,pubchem:3677,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/guanosine(aq).gif,https://rest.kegg.jp/get/C00387/image +guanine(aq),kegg:C00242,[],,,chebi:16235,pubchem:3541,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/guanine(aq).gif,https://rest.kegg.jp/get/C00242/image +inosine(aq),kegg:C00294,[],,,chebi:17596,pubchem:3588,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/inosine(aq).gif,https://rest.kegg.jp/get/C00294/image +alpha-D-ribose 1-phosphate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/alpha-D-ribose 1-phosphate(aq).gif, +nicotinamide(aq),kegg:C00153,[],,,chebi:17154,pubchem:3453,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/nicotinamide(aq).gif,https://rest.kegg.jp/get/C00153/image +nicotinamide riboside(aq),kegg:C03150,[],,,chebi:15927,pubchem:6038,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/nicotinamide riboside(aq).gif,https://rest.kegg.jp/get/C03150/image +xanthosine(aq),kegg:C01762,[],,,chebi:18107,pubchem:4895,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/xanthosine(aq).gif,https://rest.kegg.jp/get/C01762/image +xanthine(aq),kegg:C00385,[],,,chebi:17712,pubchem:3675,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/xanthine(aq).gif,https://rest.kegg.jp/get/C00385/image +thymine(aq),kegg:C00178,[],,,chebi:17821,pubchem:3478,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/thymine(aq).gif,https://rest.kegg.jp/get/C00178/image +5-methyluridine(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5-methyluridine(aq).gif, +alpha-D-ribose-1-phosphate,,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/alpha-D-ribose-1-phosphate.gif, +uridine(aq),kegg:C00299,[],,,chebi:16704,pubchem:3593,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/uridine(aq).gif,https://rest.kegg.jp/get/C00299/image +uracil(aq),kegg:C00106,[],,,chebi:17568,pubchem:3406,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/uracil(aq).gif,https://rest.kegg.jp/get/C00106/image +thymidine(aq),kegg:C00214,[],,,chebi:17748,pubchem:3514,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/thymidine(aq).gif,https://rest.kegg.jp/get/C00214/image +2'-deoxyadenosine(aq),kegg:C00559,[],,,chebi:17256,pubchem:3839,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2'-deoxyadenosine(aq).gif,https://rest.kegg.jp/get/C00559/image 5-phospho--D-ribose 1-diphosphate(aq),kegg:C00119,"['5-phospho--D-ribose 1-diphosphate(aq)', '5-Phospho-alpha-D-ribose 1-diphosphate(aq)']",,,chebi:17111,pubchem:3419,,https://rest.kegg.jp/get/C00119/image -AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/C00020/image -pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/C00013/image -5-amino-4-imidazolecarboxamide(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, +AMP(aq),kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/AMP(aq).gif,https://rest.kegg.jp/get/C00020/image +pyrophosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/pyrophosphate(aq).gif,https://rest.kegg.jp/get/C00013/image +5-amino-4-imidazolecarboxamide(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5-amino-4-imidazolecarboxamide(aq).gif, 5-phospho-alpha-D-ribose 1-dipihosphate(aq),,[],,,,,, 5-amino-1-beta-D-ribosyl-4-imidazolecarboxamide 5'-phosphate(aq),,[],,,,,, GMP(aq),kegg:C00144,"['GMP(aq)', ""guanosine 5 '-phosphate(aq)""]",,,chebi:17345,pubchem:3444,,https://rest.kegg.jp/get/C00144/image @@ -421,18 +421,18 @@ norpyridoxal(aq),,[],,,,,, pyridoxamine(aq),kegg:C00534,[],,,chebi:16410,pubchem:3816,,https://rest.kegg.jp/get/C00534/image pyridoxal(aq),kegg:C00250,[],,,chebi:17310,pubchem:3549,,https://rest.kegg.jp/get/C00250/image "dTDP-4-amino-4,6-dideoxy-D-glucose(aq)",kegg:C04268,[],,,chebi:15952,pubchem:6932,,https://rest.kegg.jp/get/C04268/image -dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/C11907/image -L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/C00956/image -2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/C00322/image -3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image -O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/C01005/image -6-amino-D-glucose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-glucose(aq).gif, -6-amino-D-glucose 6-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, -D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/C00159/image -D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00275/image -D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03384/image -"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/C00354/image -3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/C00882/image +dTDP-4-dehydro-6-deoxy-D-glucose(aq),kegg:C11907,[],,,chebi:16128,pubchem:14069,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dTDP-4-dehydro-6-deoxy-D-glucose(aq).gif,https://rest.kegg.jp/get/C11907/image +L-2-aminoadipate(aq),kegg:C00956,[],,,chebi:37023,pubchem:4207,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-2-aminoadipate(aq).gif,https://rest.kegg.jp/get/C00956/image +2-oxoadipate(aq),kegg:C00322,[],,,chebi:15753,pubchem:3616,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-oxoadipate(aq).gif,https://rest.kegg.jp/get/C00322/image +3-phosphonooxypyruvate(aq),kegg:C03232,"['3-phosphohydroxypyruvate(aq)', '3-phosphonooxypyruvate(aq)']",,,chebi:18110,pubchem:6103,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-phosphonooxypyruvate(aq).gif,https://rest.kegg.jp/get/C03232/image +O-phospho-L-serine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/O-phospho-L-serine(aq).gif,https://rest.kegg.jp/get/C01005/image +6-amino-D-glucose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/6-amino-D-glucose(aq).gif, +6-amino-D-glucose 6-phosphate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/6-amino-D-glucose 6-phosphate(aq).gif, +D-mannose(aq),kegg:C00159,[],,,chebi:4208,pubchem:3459,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-mannose(aq).gif,https://rest.kegg.jp/get/C00159/image +D-mannose 6-phosphate(aq),kegg:C00275,[],,,chebi:17369,pubchem:3572,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-mannose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00275/image +D-galactose 1-phosphate(aq),kegg:C03384,"['D-galactose 1-phosphate(aq)', '-D-galactose 1-phosphate(aq)']",,,chebi:37480,pubchem:6219,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-galactose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03384/image +"D-fructose 1,6-bisphosphate(aq)",kegg:C00354,[],,,chebi:16905,pubchem:3647,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-fructose 1,6-bisphosphate(aq).gif",https://rest.kegg.jp/get/C00354/image +3'-dephospho-CoA(aq),kegg:C00882,[],,,chebi:15468,pubchem:4138,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3'-dephospho-CoA(aq).gif,https://rest.kegg.jp/get/C00882/image lysozyme(aq),,[],,,,,, phospholysozyme(aq),,[],,,,,, phosvitin(aq),,[],,,,,, @@ -456,9 +456,9 @@ phosphocyclocreatine(aq),,[],,,,,, "adenosine 5'-(alpha, beta-methylene)diphosphate(aq)",,[],,,,,, N-w-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,,https://rest.kegg.jp/get/C05945/image N-omega-phospho-L-arginine(aq),,[],,,,,, -taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/C01959/image +taurocyamine(aq),kegg:C01959,[],,,chebi:17228,pubchem:5060,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/taurocyamine(aq).gif,https://rest.kegg.jp/get/C01959/image N-w-phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,,https://rest.kegg.jp/get/C03149/image -lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/C14177/image +lombricine(aq),kegg:C14177,[],,,chebi:16585,pubchem:7846989,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/lombricine(aq).gif,https://rest.kegg.jp/get/C14177/image N-w-phospholombricine(aq),kegg:C14178,[],,,chebi:18039,pubchem:7846990,,https://rest.kegg.jp/get/C14178/image (R)-5-phosphomevalonate(aq),kegg:C01107,[],,,chebi:17436,pubchem:4339,,https://rest.kegg.jp/get/C01107/image (R)-5-diphosphomevalonate(aq),kegg:C01143,[],,,chebi:15899,pubchem:4374,,https://rest.kegg.jp/get/C01143/image @@ -501,10 +501,10 @@ GDPmannose(aq),kegg:C00096,[],,,chebi:15820,pubchem:3396,,https://rest.kegg.jp/g CTP(aq),kegg:C00063,[],,,chebi:17677,pubchem:3363,,https://rest.kegg.jp/get/C00063/image O-phosphorylethanolamine(aq),kegg:C00346,[],,,chebi:17553,pubchem:3639,,https://rest.kegg.jp/get/C00346/image CDPethanolamine(aq),kegg:C00570,[],,,chebi:16732,pubchem:3849,,https://rest.kegg.jp/get/C00570/image -phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/C00588/image +phosphorylcholine(aq),kegg:C00588,[],,,chebi:18132,pubchem:3867,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phosphorylcholine(aq).gif,https://rest.kegg.jp/get/C00588/image CDPcholine(aq),kegg:C00307,[],,,chebi:16436,pubchem:3601,,https://rest.kegg.jp/get/C00307/image -N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image -UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/C00043/image +N-acetyl--D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-acetyl--D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +UDP-N-acetyl-D-glucosamine(aq),kegg:C00043,[],,,chebi:16264,pubchem:3345,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/UDP-N-acetyl-D-glucosamine(aq).gif,https://rest.kegg.jp/get/C00043/image dTDPglucose(aq),kegg:C00842,[],,,chebi:15700,pubchem:4099,,https://rest.kegg.jp/get/C00842/image CDPglucose(aq),kegg:C00501,[],,,chebi:28942,pubchem:3784,,https://rest.kegg.jp/get/C00501/image GDPglucose(aq),kegg:C00394,[],,,chebi:29062,pubchem:3684,,https://rest.kegg.jp/get/C00394/image @@ -539,14 +539,14 @@ D-fructose 1-phosphate(aq),kegg:C01094,[],,,chebi:18105,pubchem:4329,,https://re D-galactose 6-phosphate(aq),kegg:C01113,[],,,chebi:17733,pubchem:4345,,https://rest.kegg.jp/get/C01113/image 4-nitrophenyl phosphate(aq),kegg:C03360,[],,,chebi:17440,pubchem:6198,,https://rest.kegg.jp/get/C03360/image 4-nitrophenol(aq),kegg:C00870,[],,,chebi:16836,pubchem:4127,,https://rest.kegg.jp/get/C00870/image -phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/C02734/image -phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/C00146/image +phenyl phosphate(aq),kegg:C02734,[],,,chebi:37548,pubchem:5695,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phenyl phosphate(aq).gif,https://rest.kegg.jp/get/C02734/image +phenol(aq),kegg:C00146,[],,,chebi:15882,pubchem:3446,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phenol(aq).gif,https://rest.kegg.jp/get/C00146/image (R)-3-phosphoglycerate(aq),kegg:C00197,"['3-phospho-D-glycerate(aq)', '(R)-3-phosphoglycerate(aq)']",,,chebi:17794,pubchem:3497,,https://rest.kegg.jp/get/C00197/image phosphoenolpyruvate3-(aq),kegg:C00074,"['phosphoenolpyruvate(aq)', 'phosphoenolpyruvate3-(aq)']",,,chebi:18021,pubchem:3374,,https://rest.kegg.jp/get/C00074/image -pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/C00022/image -L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/C01005/image -phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/C03149/image -D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/C00121/image +pyruvate-(aq),kegg:C00022,"['pyruvate(aq)', 'pyruvate', 'pyruvate-(aq)']",,,chebi:15361,pubchem:3324,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/pyruvate-(aq).gif,https://rest.kegg.jp/get/C00022/image +L-O-phosphoserine(aq),kegg:C01005,"['O-phospho-L-serine(aq)', 'L-O-phosphoserine(aq)']",,,chebi:15811,pubchem:4251,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-O-phosphoserine(aq).gif,https://rest.kegg.jp/get/C01005/image +phosphotaurocyamine(aq),kegg:C03149,"['N-w-phosphotaurocyamine(aq)', 'phosphotaurocyamine(aq)']",,,chebi:16621,pubchem:6037,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phosphotaurocyamine(aq).gif,https://rest.kegg.jp/get/C03149/image +D-ribose(aq),kegg:C00121,[],,,chebi:47013,pubchem:3421,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-ribose(aq).gif,https://rest.kegg.jp/get/C00121/image L-alpha-glycerophosphate(aq),,[],,,,,, adenosine 3':5'-(cyclic)phosphate(aq),kegg:C00575,[],,,chebi:17489,pubchem:3854,,https://rest.kegg.jp/get/C00575/image 2'-deoxyadenosine 3':5'-(cyclic)phosphate(aq),kegg:C00968,[],,,chebi:28074,pubchem:4218,,https://rest.kegg.jp/get/C00968/image @@ -562,35 +562,35 @@ maltohexaose(aq),kegg:C01936,[],,,chebi:27445,pubchem:5041,,https://rest.kegg.jp maltotriose(aq),kegg:C01835,[],,,chebi:27931,pubchem:4954,,https://rest.kegg.jp/get/C01835/image panose(aq),kegg:C00713,[],,,chebi:7912,pubchem:3979,,https://rest.kegg.jp/get/C00713/image palatinose(aq),kegg:C01742,[],,,chebi:18394,pubchem:4876,,https://rest.kegg.jp/get/C01742/image -D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/C19636/image +D-turanose(aq),kegg:C19636,[],,,,pubchem:124490288,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-turanose(aq).gif,https://rest.kegg.jp/get/C19636/image -gentiobiose(aq),kegg:C08240,[],,,chebi:28066,pubchem:10439,,https://rest.kegg.jp/get/C08240/image -D-melibiose(aq),kegg:C05402,[],,,chebi:28053,pubchem:7769,,https://rest.kegg.jp/get/C05402/image -lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/C07064/image -ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/C01882/image -L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/C00152/image +lactulose(aq),kegg:C07064,[],,,chebi:6359,pubchem:9276,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/lactulose(aq).gif,https://rest.kegg.jp/get/C07064/image +ADPribose(aq),kegg:C01882,[],,,chebi:16864,pubchem:4995,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ADPribose(aq).gif,https://rest.kegg.jp/get/C01882/image +L-asparagine(aq),kegg:C00152,[],,,chebi:17196,pubchem:3452,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-asparagine(aq).gif,https://rest.kegg.jp/get/C00152/image γ-glutamohydroxamic acid(aq),,[],,,,,, -hydroxylamine(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/hydroxylamine(aq).gif, -carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/C01563/image -urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/C00086/image -cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/C07761/image -2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/C02595/image -7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/C07756/image -penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/C05551/image -6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/C02954/image -phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/C07086/image +hydroxylamine(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/hydroxylamine(aq).gif, +carbamate(aq),kegg:C01563,"['ammonium carbamate(aq)', 'carbamate(aq)']",,,chebi:28616,pubchem:4721,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/carbamate(aq).gif,https://rest.kegg.jp/get/C01563/image +urea(aq),kegg:C00086,[],,,chebi:16199,pubchem:3386,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/urea(aq).gif,https://rest.kegg.jp/get/C00086/image +cephalothin(aq),kegg:C07761,[],,,chebi:124991,pubchem:9963,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cephalothin(aq).gif,https://rest.kegg.jp/get/C07761/image +2-thienylacetic acid(aq),kegg:C02595,[],,,chebi:45807,pubchem:5586,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-thienylacetic acid(aq).gif,https://rest.kegg.jp/get/C02595/image +7-aminocephalosporanic acid(aq),kegg:C07756,[],,,chebi:2255,pubchem:9958,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/7-aminocephalosporanic acid(aq).gif,https://rest.kegg.jp/get/C07756/image +penicillin G(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/penicillin G(aq).gif,https://rest.kegg.jp/get/C05551/image +6-aminopenicillanic acid(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/6-aminopenicillanic acid(aq).gif,https://rest.kegg.jp/get/C02954/image +phenylacetic acid(aq),kegg:C07086,[],,,chebi:30745,pubchem:9297,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phenylacetic acid(aq).gif,https://rest.kegg.jp/get/C07086/image penicillin G-(aq),kegg:C05551,"['penicillin G(aq)', 'penicillin G-(aq)']",,,chebi:18208,pubchem:7885,,https://rest.kegg.jp/get/C05551/image 6-aminopenicillanic acid-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image phenoxymethylpenicillin-(aq),kegg:C08126,[],,,chebi:27446,pubchem:10326,,https://rest.kegg.jp/get/C08126/image 6-aminopenicillanate-(aq),kegg:C02954,"['6-aminopenicillanic acid(aq)', '6-aminopenicillanic acid-(aq)', '6-aminopenicillanate-(aq)']",,,chebi:30938,pubchem:5872,,https://rest.kegg.jp/get/C02954/image -phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/C02181/image -phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/C05598/image -N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/C02712/image -pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/C00864/image -H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/H2O.gif,https://rest.kegg.jp/get/C00001/image -pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/C00522/image -N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/C00438/image -L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/C03703/image -ampicillin(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/ampicillin(aq).gif, +phenoxyacetate(aq),kegg:C02181,[],,,chebi:8075,pubchem:5253,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phenoxyacetate(aq).gif,https://rest.kegg.jp/get/C02181/image +phenylacetylglycine(aq),kegg:C05598,[],,,chebi:27480,pubchem:7922,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phenylacetylglycine(aq).gif,https://rest.kegg.jp/get/C05598/image +N-acetyl-L-methionine(aq),kegg:C02712,[],,,chebi:21557,pubchem:5675,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-acetyl-L-methionine(aq).gif,https://rest.kegg.jp/get/C02712/image +pantothenate,kegg:C00864,[],,,chebi:7916,pubchem:4121,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/pantothenate.gif,https://rest.kegg.jp/get/C00864/image +H2O,kegg:C00001,"['H2O(l)', 'H2O', 'H2o(l)']",,,chebi:15377,pubchem:3303,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/H2O.gif,https://rest.kegg.jp/get/C00001/image +pantoic acid,kegg:C00522,"['pantoic acid', '(R)-pantoate(aq)']",,,chebi:15980,pubchem:3805,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/pantoic acid.gif,https://rest.kegg.jp/get/C00522/image +N-carbamoyl-L-aspartate(aq),kegg:C00438,[],,,chebi:15859,pubchem:3727,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-carbamoyl-L-aspartate(aq).gif,https://rest.kegg.jp/get/C00438/image +L-5-carboxymethylhydantoin(aq),kegg:C03703,[],,,chebi:16342,pubchem:6473,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-5-carboxymethylhydantoin(aq).gif,https://rest.kegg.jp/get/C03703/image +ampicillin(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/ampicillin(aq).gif, ampicillinoic acid(aq),,[],,,,,, penicillinoic acid(aq),kegg:C06567,[],,,,pubchem:8796,,https://rest.kegg.jp/get/C06567/image phenoxymethylpenicillin(aq),,[],,,,,, @@ -605,63 +605,63 @@ triphosphate(aq),kegg:C00536,[],,,chebi:18036,pubchem:3818,,https://rest.kegg.jp -nicotinamide mononucleotide(aq),kegg:C00455,"['beta-Nicotinamide mononucleotide', '-nicotinamide mononucleotide(aq)']",,,chebi:16171,pubchem:3741,,https://rest.kegg.jp/get/C00455/image ATP-4-(aq),kegg:C00002,"['ATP(aq)', 'ATP', 'ATP-4-(aq)']",,,chebi:15422,pubchem:3304,,https://rest.kegg.jp/get/C00002/image ITP(aq),kegg:C00081,"[""inosine 5'-triphosphate(aq)"", 'ITP(aq)']",,,chebi:16039,pubchem:3381,,https://rest.kegg.jp/get/C00081/image -IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/C00104/image -diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/C00013/image -phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/C00009/image +IDP(aq),kegg:C00104,"[""inosine 5'-diphosphate(aq)"", 'IDP(aq)']",,,chebi:17808,pubchem:3404,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/IDP(aq).gif,https://rest.kegg.jp/get/C00104/image +diphosphate(aq),kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/diphosphate(aq).gif,https://rest.kegg.jp/get/C00013/image +phosphate(aq),kegg:C00009,"['orthophosphate(aq)', 'orthophospate(aq)', 'HPO4-2-(aq)', 'phosphate(aq)']",,,chebi:18367,pubchem:3311,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/phosphate(aq).gif,https://rest.kegg.jp/get/C00009/image "D-ribulose 1,5-biphosphate(aq)",kegg:C01182,"['D-ribulose 1,5-biphosphate(aq)', 'D-ribulose 1,5-bisphosphate(aq)']",,,chebi:16710,pubchem:4409,,https://rest.kegg.jp/get/C01182/image -erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03394/image -glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image -2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C00673/image -"5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", -propionaldehyde(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propionaldehyde(aq).gif, +erythrulose 1-phosphate(aq),kegg:C03394,[],,,chebi:14216,pubchem:6225,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/erythrulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C03394/image +glycerone phosphate(aq),kegg:C00111,"['dihydroxyacetone phosphate(aq)', 'glycerone phosphate(aq)']",,,chebi:16108,pubchem:3411,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glycerone phosphate(aq).gif,https://rest.kegg.jp/get/C00111/image +2-deoxy-D-ribose 5-phosphate(aq),kegg:C00673,[],,,chebi:16132,pubchem:3942,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-deoxy-D-ribose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C00673/image +"5,6-dideoxyfructose 1-phosphate(aq)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5,6-dideoxyfructose 1-phosphate(aq).gif", +propionaldehyde(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/propionaldehyde(aq).gif, methylerythrulose 1-phosphate(aq),,[],,,,,, -glycerone phosphate (aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/glycerone phosphate (aq).gif, -6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/C04442/image -L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01099/image -(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image -2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/C06159/image -2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/C00684/image -L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01131/image -2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/C01286/image -D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C06019/image -N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/C00270/image -N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/C00645/image -4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/C01127/image -(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02614/image -"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/C04348/image -"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image -propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/C00163/image -L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/C00078/image -indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/C00463/image -cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/C00417/image -3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image -2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00631/image -(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C03561/image -cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image -(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C01144/image -trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image -(3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, -cis-hex-2-enoyl-CoA(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, -(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05268/image -trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05271/image -1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C03506/image -(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/C00497/image -maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/C01384/image -2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/C01732/image -(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02612/image -2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/C02226/image -gamma-fluoroglutamate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/gamma-fluoroglutamate(aq).gif, +glycerone phosphate (aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/glycerone phosphate (aq).gif, +6-phospho-2-dehydro-3-deoxy-D-gluconate(aq),kegg:C04442,[],,,chebi:15925,pubchem:7071,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/6-phospho-2-dehydro-3-deoxy-D-gluconate(aq).gif,https://rest.kegg.jp/get/C04442/image +L-fuculose 1-phosphate(aq),kegg:C01099,[],,,chebi:6220,pubchem:4333,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-fuculose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01099/image +(S)-lactaldehyde(aq),kegg:C00424,"['L-lactaldehyde(aq)', '(S)-lactaldehyde(aq)']",,,chebi:18041,pubchem:3714,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-lactaldehyde(aq).gif,https://rest.kegg.jp/get/C00424/image +2-dehydro-3-deoxy-D-fuconate(aq),kegg:C06159,[],,,chebi:18104,pubchem:8415,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-fuconate(aq).gif,https://rest.kegg.jp/get/C06159/image +2-dehydro-3-deoxy-L-pentonate(aq),kegg:C00684,[],,,chebi:17647,pubchem:3953,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-dehydro-3-deoxy-L-pentonate(aq).gif,https://rest.kegg.jp/get/C00684/image +L-rhamnulose 1-phosphate(aq),kegg:C01131,[],,,chebi:17892,pubchem:4362,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-rhamnulose 1-phosphate(aq).gif,https://rest.kegg.jp/get/C01131/image +2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq),kegg:C01286,[],,,chebi:17860,pubchem:4505,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-dehydro-3-deoxy-D-galactonate 6-phosphate(aq).gif,https://rest.kegg.jp/get/C01286/image +D-arabino-3-hexulose 6-phosphate(aq),kegg:C06019,"['D-arabino-3-hexulose 6-phosphate(aq)', 'D-arabino-Hex-3-ulose 6-phosphate']",,,chebi:27973,pubchem:8291,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-arabino-3-hexulose 6-phosphate(aq).gif,https://rest.kegg.jp/get/C06019/image +N-acetylneuraminate(aq),kegg:C00270,[],,,chebi:17012,pubchem:3568,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-acetylneuraminate(aq).gif,https://rest.kegg.jp/get/C00270/image +N-acetyl-D-mannosamine(aq),kegg:C00645,[],,,chebi:63153,pubchem:3918,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-acetyl-D-mannosamine(aq).gif,https://rest.kegg.jp/get/C00645/image +4-hydroxy-2-oxoglutarate(aq),kegg:C01127,[],,,chebi:17742,pubchem:4358,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-hydroxy-2-oxoglutarate(aq).gif,https://rest.kegg.jp/get/C01127/image +(S)-2-methylmalate(aq),kegg:C02614,[],,,chebi:30936,pubchem:5599,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02614/image +"(R,S)-malyl-CoA(aq)",kegg:C04348,[],,,chebi:15454,pubchem:6997,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R,S)-malyl-CoA(aq).gif",https://rest.kegg.jp/get/C04348/image +"2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +propanoate(aq),kegg:C00163,[],,,chebi:17272,pubchem:3463,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/propanoate(aq).gif,https://rest.kegg.jp/get/C00163/image +L-tryptophan(aq),kegg:C00078,[],,,chebi:16828,pubchem:3378,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-tryptophan(aq).gif,https://rest.kegg.jp/get/C00078/image +indole(aq),kegg:C00463,[],,,chebi:16881,pubchem:3747,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/indole(aq).gif,https://rest.kegg.jp/get/C00463/image +cis-aconitate(aq),kegg:C00417,[],,,chebi:16383,pubchem:3707,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-aconitate(aq).gif,https://rest.kegg.jp/get/C00417/image +3-dehydroquinate(aq),kegg:C00944,"['5-dehydroquinate(aq)', '3-dehydroquinate(aq)']",,,chebi:32364,pubchem:4196,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-dehydroquinate(aq).gif,https://rest.kegg.jp/get/C00944/image +2-phospho-D-glycerate(aq),kegg:C00631,[],,,chebi:17835,pubchem:3904,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-phospho-D-glycerate(aq).gif,https://rest.kegg.jp/get/C00631/image +(3R)-3-hydroxybutanoyl-CoA(aq),kegg:C03561,[],,,chebi:15452,pubchem:6354,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(3R)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C03561/image +cis-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image +(3S)-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(3S)-3-hydroxybutanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C01144/image +trans-but-2-enoyl-CoA(aq),kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/trans-but-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C00877/image +(3R)-3-hydroxyhexanoyl-CoA(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(3R)-3-hydroxyhexanoyl-CoA(aq).gif, +cis-hex-2-enoyl-CoA(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-hex-2-enoyl-CoA(aq).gif, +(3S)-3-hydroxyhexanoyl-CoA(aq),kegg:C05268,"['(S)-3-hydroxyhexanoyl-CoA(aq)', '(3S)-3-hydroxyhexanoyl-CoA(aq)']",,,chebi:28276,pubchem:7655,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(3S)-3-hydroxyhexanoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05268/image +trans-hex-2-enoyl-CoA(aq),kegg:C05271,[],,,chebi:28706,pubchem:7658,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/trans-hex-2-enoyl-CoA(aq).gif,https://rest.kegg.jp/get/C05271/image +1-(indol-3-yl)glycerol 3-phosphate(aq),kegg:C03506,[],,,chebi:18299,pubchem:6317,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-(indol-3-yl)glycerol 3-phosphate(aq).gif,https://rest.kegg.jp/get/C03506/image +(R)-malate(aq),kegg:C00497,[],,,chebi:15588,pubchem:3780,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-malate(aq).gif,https://rest.kegg.jp/get/C00497/image +maleate(aq),kegg:C01384,[],,,chebi:18300,pubchem:4579,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/maleate(aq).gif,https://rest.kegg.jp/get/C01384/image +2-methylfumarate(aq),kegg:C01732,[],,,chebi:36986,pubchem:4868,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-methylfumarate(aq).gif,https://rest.kegg.jp/get/C01732/image +(R)-2-methylmalate(aq),kegg:C02612,[],,,chebi:30934,pubchem:5597,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-2-methylmalate(aq).gif,https://rest.kegg.jp/get/C02612/image +2-methylmaleate(aq),kegg:C02226,[],,,chebi:30719,pubchem:5291,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-methylmaleate(aq).gif,https://rest.kegg.jp/get/C02226/image +gamma-fluoroglutamate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/gamma-fluoroglutamate(aq).gif, cis-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, trans-D-4-fluoro-5-oxopyrrolidine-2-carboxylate(aq),,[],,,,,, -5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/C02237/image -urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/C00785/image -"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/C03680/image +5-oxo-D-proline(aq),kegg:C02237,[],,,chebi:16924,pubchem:5301,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/5-oxo-D-proline(aq).gif,https://rest.kegg.jp/get/C02237/image +urocanate(aq),kegg:C00785,[],,,chebi:27247,pubchem:4043,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/urocanate(aq).gif,https://rest.kegg.jp/get/C00785/image +"4,5-dihydro-4-oxo-5-imidazolepropanoate(aq)",kegg:C03680,[],,,chebi:27384,pubchem:6455,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4,5-dihydro-4-oxo-5-imidazolepropanoate(aq).gif",https://rest.kegg.jp/get/C03680/image cis-but-2-enoyl-[acyl-carrier protein](aq),kegg:C04246,[],,,,pubchem:6911,,https://rest.kegg.jp/get/C04246/image -"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image -dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/C00922/image +"(2R,3S)-2,3-dimethylmalate(aq)",kegg:C03652,"['2,3-dimethylmalate(aq)', '(2R,3S)-2,3-dimethylmalate(aq)']",,,chebi:15582,pubchem:6432,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(2R,3S)-2,3-dimethylmalate(aq).gif",https://rest.kegg.jp/get/C03652/image +dimethylmaleate(aq),kegg:C00922,[],,,chebi:17081,pubchem:4176,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dimethylmaleate(aq).gif,https://rest.kegg.jp/get/C00922/image DL-3-hydroxybutanoyl-CoA(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image -L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/C03618/image -L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/C00135/image +L-threo-3-methylaspartate(aq),kegg:C03618,[],,,chebi:47980,pubchem:6402,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-threo-3-methylaspartate(aq).gif,https://rest.kegg.jp/get/C03618/image +L-histidine(aq),kegg:C00135,[],,,chebi:15971,pubchem:3435,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-histidine(aq).gif,https://rest.kegg.jp/get/C00135/image L-phenylalanine(aq),kegg:C00079,[],,,chebi:17295,pubchem:3379,,https://rest.kegg.jp/get/C00079/image trans-cinnamate(aq),kegg:C00423,[],,,chebi:15669,pubchem:3713,,https://rest.kegg.jp/get/C00423/image beta-alanylpantetheine(aq),,[],,,,,, @@ -699,58 +699,58 @@ beta-D-Glucose 6-phosphate(aq),kegg:C01172,[],,,chebi:17719,pubchem:4399,,https: GDP-L-galactose(aq),kegg:C02280,[],,,chebi:18038,pubchem:5337,,https://rest.kegg.jp/get/C02280/image (R)-methylmalonyl-CoA(aq),kegg:C01213,[],,,chebi:15465,pubchem:4435,,https://rest.kegg.jp/get/C01213/image (S)-methylmalonyl-CoA(aq),kegg:C00683,[],,,chebi:15466,pubchem:3952,,https://rest.kegg.jp/get/C00683/image -all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/C00376/image -11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/C02110/image -"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C01595/image -"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C04056/image -D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/C01796/image -D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/C02022/image -D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/C00216/image -L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/C01019/image -L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/C01721/image -L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/C00259/image -L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/C00508/image +all-trans-retinal(aq),kegg:C00376,"['vitamin A aldehyde(aq)', 'all-trans-retinal(aq)']",,,chebi:17898,pubchem:3666,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/all-trans-retinal(aq).gif,https://rest.kegg.jp/get/C00376/image +11-cis-retinal(aq),kegg:C02110,[],,,chebi:16066,pubchem:5192,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/11-cis-retinal(aq).gif,https://rest.kegg.jp/get/C02110/image +"9-cis,12-cis-octadecadienoate(aq)",kegg:C01595,[],,,chebi:30245,pubchem:4750,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/9-cis,12-cis-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C01595/image +"9-cis,11-trans-octadecadienoate(aq)",kegg:C04056,[],,,chebi:32798,pubchem:6756,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/9-cis,11-trans-octadecadienoate(aq).gif",https://rest.kegg.jp/get/C04056/image +D-erythrose(aq),kegg:C01796,[],,,chebi:27904,pubchem:4923,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-erythrose(aq).gif,https://rest.kegg.jp/get/C01796/image +D-erythrulose(aq),kegg:C02022,[],,,chebi:23958,pubchem:5117,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-erythrulose(aq).gif,https://rest.kegg.jp/get/C02022/image +D-arabinose(aq),kegg:C00216,[],,,chebi:17108,pubchem:3516,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-arabinose(aq).gif,https://rest.kegg.jp/get/C00216/image +L-fucose(aq),kegg:C01019,[],,,chebi:2181,pubchem:4264,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-fucose(aq).gif,https://rest.kegg.jp/get/C01019/image +L-fuculose(aq),kegg:C01721,[],,,chebi:17617,pubchem:4858,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-fuculose(aq).gif,https://rest.kegg.jp/get/C01721/image +L-arabinose(aq),kegg:C00259,[],,,chebi:17535,pubchem:3558,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-arabinose(aq).gif,https://rest.kegg.jp/get/C00259/image +L-ribulose(aq),kegg:C00508,[],,,chebi:16880,pubchem:3791,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-ribulose(aq).gif,https://rest.kegg.jp/get/C00508/image -D-allose(aq),kegg:C01487,[],,,chebi:4093,pubchem:4657,,https://rest.kegg.jp/get/C01487/image -D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/C06464/image -D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/C00476/image -D-rhamnose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-rhamnose(aq).gif, -D-rhamnulose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-rhamnulose(aq).gif, -6-amino-D-fructose 6-phosphate(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, -D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00352/image -D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/C00333/image -D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/C00558/image -D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/C00191/image -D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/C00905/image -D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C01112/image +D-altrose(aq),kegg:C06464,[],,,chebi:28385,pubchem:8696,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-altrose(aq).gif,https://rest.kegg.jp/get/C06464/image +D-lyxose(aq),kegg:C00476,[],,,chebi:16789,pubchem:3759,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-lyxose(aq).gif,https://rest.kegg.jp/get/C00476/image +D-rhamnose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-rhamnose(aq).gif, +D-rhamnulose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-rhamnulose(aq).gif, +6-amino-D-fructose 6-phosphate(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/6-amino-D-fructose 6-phosphate(aq).gif, +D-glucosamine 6-phosphate(aq),kegg:C00352,[],,,chebi:47987,pubchem:3645,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glucosamine 6-phosphate(aq).gif,https://rest.kegg.jp/get/C00352/image +D-galacturonate(aq),kegg:C00333,[],,,chebi:12952,pubchem:3627,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-galacturonate(aq).gif,https://rest.kegg.jp/get/C00333/image +D-tagaturonate(aq),kegg:C00558,[],,,chebi:17886,pubchem:3838,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-tagaturonate(aq).gif,https://rest.kegg.jp/get/C00558/image +D-glucuronate(aq),kegg:C00191,[],,,chebi:15748,pubchem:3491,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glucuronate(aq).gif,https://rest.kegg.jp/get/C00191/image +D-fructuronate(aq),kegg:C00905,[],,,chebi:4126,pubchem:4160,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-fructuronate(aq).gif,https://rest.kegg.jp/get/C00905/image +D-arabinose 5-phosphate(aq),kegg:C01112,[],,,chebi:16241,pubchem:4344,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-arabinose 5-phosphate(aq).gif,https://rest.kegg.jp/get/C01112/image L-rhamnose(aq),kegg:C00507,[],,,chebi:62345,pubchem:3790,,https://rest.kegg.jp/get/C00507/image -L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/C00861/image -L-mannose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-mannose(aq).gif, -L-fructose(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-fructose(aq).gif, -keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C00166/image -enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C02763/image -keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C00036/image -enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C03981/image -isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00129/image -dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00235/image -methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/C02295/image -D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C06156/image -"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/C01231/image +L-rhamnulose(aq),kegg:C00861,[],,,chebi:17897,pubchem:4118,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-rhamnulose(aq).gif,https://rest.kegg.jp/get/C00861/image +L-mannose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-mannose(aq).gif, +L-fructose(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-fructose(aq).gif, +keto-phenylpyruvate(aq),kegg:C00166,"['keto-phenylpyruvate(aq)', 'phenylpyruvate(aq)']",,,chebi:18005,pubchem:3466,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/keto-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C00166/image +enol-phenylpyruvate(aq),kegg:C02763,[],,,chebi:16815,pubchem:5719,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/enol-phenylpyruvate(aq).gif,https://rest.kegg.jp/get/C02763/image +keto-oxaloacetate(aq),kegg:C00036,"['oxaloacetate(aq)', 'keto-oxaloacetate(aq)']",,,chebi:16452,pubchem:3338,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/keto-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C00036/image +enol-oxaloacetate(aq),kegg:C03981,[],,,chebi:28394,pubchem:6698,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/enol-oxaloacetate(aq).gif,https://rest.kegg.jp/get/C03981/image +isopentenyl diphosphate(aq),kegg:C00129,[],,,chebi:16584,pubchem:3429,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/isopentenyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00129/image +dimethylallyl diphosphate(aq),kegg:C00235,[],,,chebi:16057,pubchem:3534,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dimethylallyl diphosphate(aq).gif,https://rest.kegg.jp/get/C00235/image +methylitaconate(aq),kegg:C02295,[],,,chebi:16093,pubchem:5351,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/methylitaconate(aq).gif,https://rest.kegg.jp/get/C02295/image +D-glucosamine 1-phosphate(aq),kegg:C06156,[],,,chebi:27625,pubchem:8412,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C06156/image +"D-glucose 1,6-diphosphate(aq)",kegg:C01231,[],,,chebi:18148,pubchem:4453,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glucose 1,6-diphosphate(aq).gif",https://rest.kegg.jp/get/C01231/image -D-glucose 6-phosphate(aq),kegg:C00092,"['D-glucose 6-phosphate(aq)', 'D-glucose 6-phosphate', '-D-glucose 6-phosphate(aq)']",,,chebi:4170,pubchem:3392,,https://rest.kegg.jp/get/C00092/image 6-thioglucose 6-phosphate(aq),,[],,,,,, 6-thioglucose I-phosphate(aq),,[],,,,,, -N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image -"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01142/image -D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/C00515/image -"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image -2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/C02930/image -"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/C04105/image -cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/C02480/image -tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/C03178/image -xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/C03314/image -L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/L-valine.gif,https://rest.kegg.jp/get/C00183/image +N-acetyl-D-glucosamine 1-phosphate(aq),kegg:C04256,"['N-acetyl--D-glucosamine 1-phosphate(aq)', 'N-acetyl-D-glucosamine 1-phosphate(aq)']",,,chebi:7125,pubchem:6921,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/N-acetyl-D-glucosamine 1-phosphate(aq).gif,https://rest.kegg.jp/get/C04256/image +"(3S)-3,6-diaminohexanoate(aq)",kegg:C01142,[],,,chebi:15613,pubchem:4373,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(3S)-3,6-diaminohexanoate(aq).gif",https://rest.kegg.jp/get/C01142/image +D-ornithine(aq),kegg:C00515,[],,,chebi:16176,pubchem:3798,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-ornithine(aq).gif,https://rest.kegg.jp/get/C00515/image +"D-threo-2,4-diaminopentanoate(aq)",kegg:C03943,"['2,4-diaminopentanoate(aq)', 'D-threo-2,4-diaminopentanoate(aq)']",,,chebi:4280,pubchem:6667,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-threo-2,4-diaminopentanoate(aq).gif",https://rest.kegg.jp/get/C03943/image +2-methyleneglutarate(aq),kegg:C02930,[],,,chebi:17207,pubchem:5852,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-methyleneglutarate(aq).gif,https://rest.kegg.jp/get/C02930/image +"2,5-dihydro-5-oxofuran-2-acetate(aq)",kegg:C04105,[],,,chebi:18080,pubchem:6796,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2,5-dihydro-5-oxofuran-2-acetate(aq).gif",https://rest.kegg.jp/get/C04105/image +cis-cis-hexadienedioate(aq),kegg:C02480,[],,,chebi:16508,pubchem:5495,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cis-cis-hexadienedioate(aq).gif,https://rest.kegg.jp/get/C02480/image +tetrahydroxypteridine(aq),kegg:C03178,[],,,chebi:17410,pubchem:6060,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/tetrahydroxypteridine(aq).gif,https://rest.kegg.jp/get/C03178/image +xanthine-8-carboxylate(aq),kegg:C03314,[],,,chebi:16806,pubchem:6167,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/xanthine-8-carboxylate(aq).gif,https://rest.kegg.jp/get/C03314/image +L-valine,kegg:C00183,"['L-valine', 'L-valine(aq)']",,,chebi:16414,pubchem:3483,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/L-valine.gif,https://rest.kegg.jp/get/C00183/image tRNA(Val),kegg:C01653,[],,,chebi:29183,pubchem:4802,, -AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/AMP.gif,https://rest.kegg.jp/get/C00020/image -diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/C00013/image +AMP,kegg:C00020,"['AMP(aq)', 'AMP-2--(aq)', 'AMP']",,,chebi:16027,pubchem:3322,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/AMP.gif,https://rest.kegg.jp/get/C00020/image +diphosphate,kegg:C00013,"['pyrophosphate(aq)', 'pyrophosphate', 'diphosphate(aq)', 'diphosphate']",,,chebi:18361,pubchem:3315,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/diphosphate.gif,https://rest.kegg.jp/get/C00013/image L-Valyl-tRNA(Val),kegg:C02554,[],,,chebi:29164,pubchem:5555,,https://rest.kegg.jp/get/C02554/image propanonyl-CoA(aq),kegg:C00100,"['propanoyl-CoA(aq)', 'propionyl-CoA(aq)', 'propanonyl-CoA(aq)']",,,chebi:15539,pubchem:3400,,https://rest.kegg.jp/get/C00100/image L-arginosuccinate(aq),kegg:C03406,"['N-(L-argino)succinate(aq)', 'L-arginosuccinate(aq)']",,,chebi:15682,pubchem:6235,,https://rest.kegg.jp/get/C03406/image @@ -813,35 +813,35 @@ cyclobutanone(sln),,[],,,,,, cyclobutanol(sln),,[],,,,,, cycloheptanone(sln),,[],,,,,, cycloheptanol(sln),,[],,,,,, -cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanone(sln).gif, -cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclohexanol(sln).gif, -cyclooctanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctanone(sln).gif, -cyclooctanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclooctanol(sln).gif, -cyclopentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclopentanone(sln).gif, -cyclopentanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/cyclopentanol(sln).gif, -2-heptanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-heptanone(sln).gif, -(S)-2-heptanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-2-heptanol(sln).gif, -2-hexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-hexanone(sln).gif, -(±)-2-hexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-2-hexanol(sln).gif, -2-methyl-1-cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-methyl-1-cyclohexanone(sln).gif, -(±)-cis-2-methyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-cis-2-methyl-1-cyclohexanol(sln).gif, -(±)-trans-2-methyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-trans-2-methyl-1-cyclohexanol(sln).gif, -2-octanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-octanone(sln).gif, -(S)-(+)-2-octanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(S)-(+)-2-octanol(sln).gif, -2-pentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-pentanone(sln).gif, -(±)-2-pentanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-2-pentanol(sln).gif, -2-phenyl-1-cyclohexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-phenyl-1-cyclohexanone(sln).gif, -(±)-cis-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-cis-2-phenyl-1-cyclohexanol(sln).gif, -(±)-trans-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(±)-trans-2-phenyl-1-cyclohexanol(sln).gif, -1-phenyl-1-ethanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-ethanone(sln).gif, +cyclohexanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclohexanone(sln).gif, +cyclohexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclohexanol(sln).gif, +cyclooctanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclooctanone(sln).gif, +cyclooctanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclooctanol(sln).gif, +cyclopentanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclopentanone(sln).gif, +cyclopentanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/cyclopentanol(sln).gif, +2-heptanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-heptanone(sln).gif, +(S)-2-heptanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-2-heptanol(sln).gif, +2-hexanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-hexanone(sln).gif, +(±)-2-hexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-2-hexanol(sln).gif, +2-methyl-1-cyclohexanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-methyl-1-cyclohexanone(sln).gif, +(±)-cis-2-methyl-1-cyclohexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-cis-2-methyl-1-cyclohexanol(sln).gif, +(±)-trans-2-methyl-1-cyclohexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-trans-2-methyl-1-cyclohexanol(sln).gif, +2-octanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-octanone(sln).gif, +(S)-(+)-2-octanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(S)-(+)-2-octanol(sln).gif, +2-pentanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-pentanone(sln).gif, +(±)-2-pentanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-2-pentanol(sln).gif, +2-phenyl-1-cyclohexanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-phenyl-1-cyclohexanone(sln).gif, +(±)-cis-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-cis-2-phenyl-1-cyclohexanol(sln).gif, +(±)-trans-2-phenyl-1-cyclohexanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(±)-trans-2-phenyl-1-cyclohexanol(sln).gif, +1-phenyl-1-ethanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-phenyl-1-ethanone(sln).gif, (±)-cis-2-phenyl-1-ethanol(sln),,[],,,,,, -1-phenyl-1-heptanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-heptanone(sln).gif, +1-phenyl-1-heptanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-phenyl-1-heptanone(sln).gif, (±)-cis-2-phenyl-1-heptanol(sln),,[],,,,,, -1-phenyl-1-hexanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-hexanone(sln).gif, +1-phenyl-1-hexanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-phenyl-1-hexanone(sln).gif, (±)-cis-2-phenyl-1-hexanol(sln),,[],,,,,, -1-phenyl-1-pentanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-pentanone(sln).gif, +1-phenyl-1-pentanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-phenyl-1-pentanone(sln).gif, (±)-cis-2-phenyl-1-pentanol(sln),,[],,,,,, -1-phenyl-1-propanone(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-phenyl-1-propanone(sln).gif, +1-phenyl-1-propanone(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-phenyl-1-propanone(sln).gif, (±)-cis-2-phenyl-1-propanol(sln),,[],,,,,, NADP(ox)(aq),kegg:C00006,"['NADP(aq)', 'NADP(ox)(aq)', 'NADP(ox)']",,,chebi:18009,pubchem:3308,,https://rest.kegg.jp/get/C00006/image NADP(red)(aq),kegg:C00005,"['NADPH(aq)', 'NADP(red)(aq)']",,,chebi:16474,pubchem:3307,,https://rest.kegg.jp/get/C00005/image @@ -919,44 +919,44 @@ benzoic acid adenylate(aq),,[],,,,,, 3-hydroxybenzoic acid adenylate(aq),,[],,,,,, 4-hydroxybenzoic acid(aq),,[],,,,,, 4-hydroxybenzoic acid adenylate(aq),,[],,,,,, -3-hydroxy-4-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-hydroxy-4-methylbenzoic acid(aq).gif, +3-hydroxy-4-methylbenzoic acid(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-hydroxy-4-methylbenzoic acid(aq).gif, 3-hydroxy-4-methylbenzoic acid adenylate(aq),,[],,,,,, -3-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-methylbenzoic acid(aq).gif, +3-methylbenzoic acid(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-methylbenzoic acid(aq).gif, 3-methylbenzoic acid adenylate(aq),,[],,,,,, -4-methylbenzoic acid(aq),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-methylbenzoic acid(aq).gif, +4-methylbenzoic acid(aq),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-methylbenzoic acid(aq).gif, 4-methylbenzoic acid adenylate(aq),,[],,,,,, -Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/C05945/image -adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/C00224/image +Nomega-phospho-L-arginine(aq),kegg:C05945,"['N-w-phospho-L-arginine(aq)', 'Nomega-phospho-L-arginine(aq)']",,,chebi:18412,pubchem:8229,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/Nomega-phospho-L-arginine(aq).gif,https://rest.kegg.jp/get/C05945/image +adenylylsulfate(aq),kegg:C00224,"[""adenosine 5'-phosphosulfate(aq)"", 'adenylyl sulfate(aq)', 'adenylylsulfate(aq)']",,,chebi:17709,pubchem:3524,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/adenylylsulfate(aq).gif,https://rest.kegg.jp/get/C00224/image deoxynucleoside triphosphate(aq),,[],,,,,, polyd-A-Tn(aq),,[],,,,,, polyd-A-Tn+1(aq),,[],,,,,, benzyl alcohol(sln),,[],,,,,, butyl acetate(sln),,[],,,,,, -benzyl acetate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/benzyl acetate(sln).gif, -1-butanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butanol(sln).gif, +benzyl acetate(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/benzyl acetate(sln).gif, +1-butanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-butanol(sln).gif, butyl decanoate(sln),,[],,,,,, -1-decanoic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-decanoic acid(sln).gif, -"1,2-dioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2-dioctanoyl glycerol(sln).gif", -1-mono-octanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-mono-octanoyl glycerol(sln).gif, -2-mono-octanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/2-mono-octanoyl glycerol(sln).gif, -"1,3-dioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,3-dioctanoyl glycerol(sln).gif", -dodecyl dodecanoate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/dodecyl dodecanoate(sln).gif, -1-dodecanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-dodecanol(sln).gif, -1-dodecanoic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-dodecanoic acid(sln).gif, -D-glucose(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-glucose(sln).gif, +1-decanoic acid(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-decanoic acid(sln).gif, +"1,2-dioctanoyl glycerol(sln)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1,2-dioctanoyl glycerol(sln).gif", +1-mono-octanoyl glycerol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-mono-octanoyl glycerol(sln).gif, +2-mono-octanoyl glycerol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/2-mono-octanoyl glycerol(sln).gif, +"1,3-dioctanoyl glycerol(sln)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1,3-dioctanoyl glycerol(sln).gif", +dodecyl dodecanoate(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/dodecyl dodecanoate(sln).gif, +1-dodecanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-dodecanol(sln).gif, +1-dodecanoic acid(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-dodecanoic acid(sln).gif, +D-glucose(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-glucose(sln).gif, 1-dodecanoyl D-glucose ester(sln),,[],,,,,, -(-)-menthol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(-)-menthol(sln).gif, -(-)-menthyl dodecanoate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(-)-menthyl dodecanoate(sln).gif, -oleic acid(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/oleic acid(sln).gif, -1-butyl oleate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-butyl oleate(sln).gif, -(R)-(+)-1-phenyl-1-butanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-butanol(sln).gif, +(-)-menthol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(-)-menthol(sln).gif, +(-)-menthyl dodecanoate(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(-)-menthyl dodecanoate(sln).gif, +oleic acid(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/oleic acid(sln).gif, +1-butyl oleate(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-butyl oleate(sln).gif, +(R)-(+)-1-phenyl-1-butanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-butanol(sln).gif, (R)-(+)-1-phenyl 1-butyl acetate(sln),,[],,,,,, -(R)-(+)-1-phenyl ethanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl ethanol(sln).gif, +(R)-(+)-1-phenyl ethanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-(+)-1-phenyl ethanol(sln).gif, (R)-(+)-1-phenyl ethyl acetate(sln),,[],,,,,, -(R)-(+)-1-phenyl-1-propanol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propanol(sln).gif, -(R)-(+)-1-phenyl-1-propyl acetate(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propyl acetate(sln).gif, -"1,2,3-trioctanoyl glycerol(sln)",,[],,,,,"https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1,2,3-trioctanoyl glycerol(sln).gif", -1-monooctanoyl glycerol(sln),,[],,,,,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/1-monooctanoyl glycerol(sln).gif, +(R)-(+)-1-phenyl-1-propanol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propanol(sln).gif, +(R)-(+)-1-phenyl-1-propyl acetate(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/(R)-(+)-1-phenyl-1-propyl acetate(sln).gif, +"1,2,3-trioctanoyl glycerol(sln)",,[],,,,,"https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1,2,3-trioctanoyl glycerol(sln).gif", +1-monooctanoyl glycerol(sln),,[],,,,,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/1-monooctanoyl glycerol(sln).gif, cis-2-hydroxycyclopentanemethanol cyclic phosphate(aq),,[],,,,,, cis-2-hydroxycyclopentanemethanol-phosphate(aq),,[],,,,,, trans-2-hydroxycyclopentanemethanol cyclic phosphate(aq),,[],,,,,, @@ -1008,13 +1008,13 @@ indole-3-acetic acid(aq),kegg:C00954,[],,,chebi:16411,pubchem:4205,,https://rest 2-oxo-3-deoxy-D-gluconate(aq),kegg:C00204,[],,,chebi:17032,pubchem:3504,,https://rest.kegg.jp/get/C00204/image anthranilate(aq),kegg:C00108,[],,,chebi:16567,pubchem:3408,,https://rest.kegg.jp/get/C00108/image (3S)-hydroxybutanoyl-coenzyme A(aq),kegg:C01144,"['(S)-3-hydroxybutanoyl-CoA(aq)', '(3S)-3-hydroxybutanoyl-CoA(aq)', 'DL-3-hydroxybutanoyl-CoA(aq)', '(3S)-hydroxybutanoyl-coenzyme A(aq)']",,,chebi:15453,pubchem:4375,,https://rest.kegg.jp/get/C01144/image -trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/C00877/image -4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/C04114/image -UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/C00203/image -D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/C06463/image +trans-but-2-enoyl-coenzyme A,kegg:C00877,"['cis-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-CoA(aq)', 'trans-but-2-enoyl-coenzyme A']",,,chebi:36926,pubchem:4133,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/trans-but-2-enoyl-coenzyme A.gif,https://rest.kegg.jp/get/C00877/image +4-(trimethylammonio)but-2-enoate(aq),kegg:C04114,[],,,chebi:17237,pubchem:6803,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/4-(trimethylammonio)but-2-enoate(aq).gif,https://rest.kegg.jp/get/C04114/image +UDP-N-acetyl-D-galactosamine(aq),kegg:C00203,[],,,chebi:67168,pubchem:3503,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/UDP-N-acetyl-D-galactosamine(aq).gif,https://rest.kegg.jp/get/C00203/image +D-threose(aq),kegg:C06463,[],,,chebi:28587,pubchem:8695,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/D-threose(aq).gif,https://rest.kegg.jp/get/C06463/image "(3,5)-cholesta-7,24-diene-3-ol(aq)",kegg:C05439,[],,,chebi:16290,pubchem:7801,,https://rest.kegg.jp/get/C05439/image "(3,5)-cholesta-8,24-diene-3-ol(aq)",kegg:C05437,[],,,chebi:18252,pubchem:7800,,https://rest.kegg.jp/get/C05437/image -3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,https://github.com/maxm4/hackathon-2025/blob/main/maxime/images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/C02798/image +3-phosphonopyruvate(aq),kegg:C02798,[],,,chebi:30935,pubchem:5748,https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/images/rdkit/3-phosphonopyruvate(aq).gif,https://rest.kegg.jp/get/C02798/image tRNA-Tyr(aq),kegg:C00787,[],,,chebi:29182,pubchem:4045,, L-tyrosyl-tRNA-Tyr(aq),kegg:C02839,[],,,chebi:29161,pubchem:5781,,https://rest.kegg.jp/get/C02839/image tRNA-Thr(aq),kegg:C01651,[],,,chebi:29180,pubchem:4800,, From cd6e14dc9727e2fd192a97b046fabffb3537b1be Mon Sep 17 00:00:00 2001 From: Maxime Mahout Date: Tue, 21 Jan 2025 06:05:11 +0100 Subject: [PATCH 6/6] website --- maxime/Make_final_csv.ipynb | 84 ++++---- maxime/public/search-compounds.html | 296 ++++++++++++++++++++++++++++ 2 files changed, 338 insertions(+), 42 deletions(-) create mode 100644 maxime/public/search-compounds.html diff --git a/maxime/Make_final_csv.ipynb b/maxime/Make_final_csv.ipynb index 900aa74..462ef42 100644 --- a/maxime/Make_final_csv.ipynb +++ b/maxime/Make_final_csv.ipynb @@ -2,7 +2,7 @@ "cells": [ { "cell_type": "code", - "execution_count": 5, + "execution_count": 30, "id": "159b9679", "metadata": {}, "outputs": [], @@ -12,7 +12,7 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": 31, "id": "5db8f98f", "metadata": {}, "outputs": [ @@ -144,7 +144,7 @@ "[1052 rows x 3 columns]" ] }, - "execution_count": 6, + "execution_count": 31, "metadata": {}, "output_type": "execute_result" } @@ -156,7 +156,7 @@ }, { "cell_type": "code", - "execution_count": 7, + "execution_count": 32, "id": "4dbbe272", "metadata": {}, "outputs": [], @@ -166,7 +166,7 @@ }, { "cell_type": "code", - "execution_count": 8, + "execution_count": 33, "id": "7a0c0dd3", "metadata": {}, "outputs": [], @@ -177,7 +177,7 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 34, "id": "b86e09b8", "metadata": {}, "outputs": [], @@ -196,7 +196,7 @@ }, { "cell_type": "code", - "execution_count": 10, + "execution_count": 35, "id": "135b8fb0", "metadata": {}, "outputs": [], @@ -207,7 +207,7 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 36, "id": "ed9e5aaa", "metadata": {}, "outputs": [], @@ -218,7 +218,7 @@ }, { "cell_type": "code", - "execution_count": 12, + "execution_count": 37, "id": "e174684e", "metadata": {}, "outputs": [], @@ -237,7 +237,7 @@ }, { "cell_type": "code", - "execution_count": 13, + "execution_count": 38, "id": "ab840f93", "metadata": {}, "outputs": [], @@ -248,7 +248,7 @@ }, { "cell_type": "code", - "execution_count": 14, + "execution_count": 39, "id": "74b38a39", "metadata": {}, "outputs": [], @@ -258,7 +258,7 @@ }, { "cell_type": "code", - "execution_count": 15, + "execution_count": 40, "id": "428599a5", "metadata": {}, "outputs": [], @@ -287,7 +287,7 @@ }, { "cell_type": "code", - "execution_count": 25, + "execution_count": 41, "id": "5592a9d1", "metadata": {}, "outputs": [], @@ -299,7 +299,7 @@ " rdkit_img[compound] = None\n", " kegg_img[compound] = None\n", " if cname in rdkit_d:\n", - " rdkit_img[compound] = f'https://github.com/maxm4/hackathon-2025/blob/main/maxime/{rdkit_d[cname]}'\n", + " rdkit_img[compound] = f'https://raw.githubusercontent.com/maxm4/hackathon-2025/refs/heads/main/maxime/{rdkit_d[cname]}'\n", " if not pandas.isna(row['kegg']):\n", " ckegg = row['kegg'].split()[-1] # should remove stoichiometry\n", " if ckegg in kegg_d:\n", @@ -309,7 +309,7 @@ }, { "cell_type": "code", - "execution_count": 26, + "execution_count": 42, "id": "f58821f7", "metadata": {}, "outputs": [], @@ -320,7 +320,7 @@ }, { "cell_type": "code", - "execution_count": 27, + "execution_count": 43, "id": "8b36bea4", "metadata": {}, "outputs": [ @@ -366,7 +366,7 @@ " OCc1ccccc1\n", " chebi:17987\n", " pubchem:3836\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00556/image\n", " \n", " \n", @@ -378,7 +378,7 @@ " NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...\n", " chebi:15846\n", " pubchem:3305\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00003/image\n", " \n", " \n", @@ -390,7 +390,7 @@ " O=Cc1ccccc1\n", " chebi:17169\n", " pubchem:3559\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00261/image\n", " \n", " \n", @@ -402,7 +402,7 @@ " NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...\n", " chebi:16908\n", " pubchem:3306\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00004/image\n", " \n", " \n", @@ -414,7 +414,7 @@ " CCCCO\n", " chebi:28885\n", " pubchem:8398\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C06142/image\n", " \n", " \n", @@ -548,11 +548,11 @@ "1051 None chebi:18283 \n", "\n", " pubchems rdkit_img \n", - "0 pubchem:3836 https://github.com/maxm4/hackathon-2025/blob/m... \\\n", - "1 pubchem:3305 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "2 pubchem:3559 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "3 pubchem:3306 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "4 pubchem:8398 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "0 pubchem:3836 https://raw.githubusercontent.com/maxm4/hackat... \\\n", + "1 pubchem:3305 https://raw.githubusercontent.com/maxm4/hackat... \n", + "2 pubchem:3559 https://raw.githubusercontent.com/maxm4/hackat... \n", + "3 pubchem:3306 https://raw.githubusercontent.com/maxm4/hackat... \n", + "4 pubchem:8398 https://raw.githubusercontent.com/maxm4/hackat... \n", "... ... ... \n", "1047 pubchem:3499 None \n", "1048 pubchem:3367 None \n", @@ -576,7 +576,7 @@ "[1052 rows x 9 columns]" ] }, - "execution_count": 27, + "execution_count": 43, "metadata": {}, "output_type": "execute_result" } @@ -587,7 +587,7 @@ }, { "cell_type": "code", - "execution_count": 28, + "execution_count": 44, "id": "652774c0", "metadata": {}, "outputs": [], @@ -597,7 +597,7 @@ }, { "cell_type": "code", - "execution_count": 29, + "execution_count": 45, "id": "ed2d73ea", "metadata": {}, "outputs": [ @@ -643,7 +643,7 @@ " OCc1ccccc1\n", " chebi:17987\n", " pubchem:3836\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00556/image\n", " \n", " \n", @@ -655,7 +655,7 @@ " NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O...\n", " chebi:15846\n", " pubchem:3305\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00003/image\n", " \n", " \n", @@ -667,7 +667,7 @@ " O=Cc1ccccc1\n", " chebi:17169\n", " pubchem:3559\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00261/image\n", " \n", " \n", @@ -679,7 +679,7 @@ " NC(=O)C1=CN(C=CC1)C2OC(CO[P](O)(=O)O[P](O)(=O)...\n", " chebi:16908\n", " pubchem:3306\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C00004/image\n", " \n", " \n", @@ -691,7 +691,7 @@ " CCCCO\n", " chebi:28885\n", " pubchem:8398\n", - " https://github.com/maxm4/hackathon-2025/blob/m...\n", + " https://raw.githubusercontent.com/maxm4/hackat...\n", " https://rest.kegg.jp/get/C06142/image\n", " \n", " \n", @@ -825,11 +825,11 @@ "1051 None chebi:18283 \n", "\n", " pubchems rdkit_img \n", - "0 pubchem:3836 https://github.com/maxm4/hackathon-2025/blob/m... \\\n", - "1 pubchem:3305 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "2 pubchem:3559 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "3 pubchem:3306 https://github.com/maxm4/hackathon-2025/blob/m... \n", - "4 pubchem:8398 https://github.com/maxm4/hackathon-2025/blob/m... \n", + "0 pubchem:3836 https://raw.githubusercontent.com/maxm4/hackat... \\\n", + "1 pubchem:3305 https://raw.githubusercontent.com/maxm4/hackat... \n", + "2 pubchem:3559 https://raw.githubusercontent.com/maxm4/hackat... \n", + "3 pubchem:3306 https://raw.githubusercontent.com/maxm4/hackat... \n", + "4 pubchem:8398 https://raw.githubusercontent.com/maxm4/hackat... \n", "... ... ... \n", "1047 pubchem:3499 None \n", "1048 pubchem:3367 None \n", @@ -853,7 +853,7 @@ "[1052 rows x 9 columns]" ] }, - "execution_count": 29, + "execution_count": 45, "metadata": {}, "output_type": "execute_result" } @@ -865,7 +865,7 @@ { "cell_type": "code", "execution_count": null, - "id": "8138055d", + "id": "837323eb", "metadata": {}, "outputs": [], "source": [] @@ -873,7 +873,7 @@ { "cell_type": "code", "execution_count": null, - "id": "7f8d50fc", + "id": "8bf2d60a", "metadata": {}, "outputs": [], "source": [] diff --git a/maxime/public/search-compounds.html b/maxime/public/search-compounds.html new file mode 100644 index 0000000..58360aa --- /dev/null +++ b/maxime/public/search-compounds.html @@ -0,0 +1,296 @@ + + + + + + + TECRDB simple search + + + + + + + + + + + + + + + + + + +
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