Metabolites
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB00005 | 2-Ketobutyric acid 600-18-0 | (1S,2R,3R,7S,7aR)-3-(hydroxymethyl)-hexahydro-1H-pyrrolizine-1,2,7-triol | 102.0886 C4H6O3 |  | |
| ECMDB00012 | Deoxyuridine 951-78-0 | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione | 228.202 C9H12N2O5 |  | |
| ECMDB00014 | Deoxycytidine 951-77-9 | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one | 227.2172 C9H13N3O4 |  | |
| ECMDB00019 | a-Ketoisovaleric acid 759-05-7 | 3-methyl-2-oxobutanoic acid | 116.1152 C5H8O3 |  | |
| ECMDB00023 | 3-Hydroxyisobutyric acid 2068-83-9 | 3-hydroxy-2-methylpropanoic acid | 104.1045 C4H8O3 |  | |
| ECMDB00026 | Ureidopropionic acid 462-88-4 | 3-(carbamoylamino)propanoic acid | 132.1179 C4H8N2O3 |  | |
| ECMDB00030 | Biotin 58-85-5 | 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid | 244.311 C10H16N2O3S |  | |
| ECMDB00034 | Adenine 73-24-5 | 7H-purin-6-amine | Pantothenate and CoA biosynthesis PW000828 Collection of Reactions without pathways PW001891 Quorum Sensing PW000836 S-adenosyl-L-methionine biosynthesis PW000837 More...preQ0 metabolism PW001893 Citrate lyase activation PW002075 adenine and adenosine salvage I PW002069 adenine and adenosine salvage II PW002071 adenine and adenosine salvage III PW002072 methylphosphonate degradation I PW002065 purine deoxyribonucleosides degradation PW002077 purine ribonucleosides degradation PW002076 S-adenosyl-L-methionine cycle PW002080 Spermidine biosynthesis and metabolism PW002085 | 135.1267 C5H5N5 |  |
| ECMDB00039 | Butyric acid 107-92-6 | butanoic acid | fatty acid oxidation (Butanoate) PW001017 | 88.1051 C4H8O2 |  |
| ECMDB00042 | Acetic acid 64-19-7 | acetic acid | Propanoate metabolism PW000940 More...Amino sugar and nucleotide sugar metabolism I PW000886 Amino sugar and nucleotide sugar metabolism II PW000887 Amino sugar and nucleotide sugar metabolism III PW000895 Aminobenzoate Degradation PW000757 Secondary Metabolites: cysteine biosynthesis from serine PW000977 arginine metabolism PW000790 cysteine biosynthesis PW000800 ornithine metabolism PW000791 sulfur metabolism (butanesulfonate) PW000923 sulfur metabolism (ethanesulfonate) PW000925 sulfur metabolism (isethionate) PW000926 sulfur metabolism (methanesulfonate) PW000927 sulfur metabolism (propanesulfonate) PW000924 lipopolysaccharide biosynthesis II PW001905 1,6-anhydro-N-acetylmuramic acid recycling PW002064 Chitobiose Degradation PW002042 Citrate lyase activation PW002075 N-acetylneuraminate and N-acetylmannosamine and N-acetylglucosamine degradation PW002030 lipopolysaccharide biosynthesis III PW002059 Acetate metabolism PW002090 pyruvate to cytochrome bd terminal oxidase electron transfer PW002087 | 60.052 C2H4O2 |  |
| ECMDB00044 | Ascorbic acid 50-81-7 | (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2,3-dihydrofuran-3-one | 176.1241 C6H8O6 |  | |
| ECMDB00045 | Adenosine monophosphate 61-19-8 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid | Folate biosynthesis PW000908 More...Pantothenate and CoA biosynthesis PW000828 Sulfur metabolism PW000922 Tryptophan metabolism PW000815 Biotin metabolism PW000762 beta-Alanine metabolism PW000896 Propanoate metabolism PW000940 Fatty acid biosynthesis PW000900 Biosynthesis of siderophore group nonribosomal peptides PW000760 Fatty acid metabolism PW000796 Lipoic acid metabolism PW000770 Asparagine biosynthesis PW000813 Aspartate metabolism PW000787 GTP degradation PW001888 Gluconeogenesis from L-malic acid PW000819 Menaquinol biosythesis PW001897 NAD biosynthesis PW000829 NAD salvage PW000830 PRPP Biosynthesis PW000909 Porphyrin metabolism PW000936 Selenium metabolism PW001894 arginine metabolism PW000790 fatty acid oxidation PW000758 fatty acid oxidation (Decanoate) PW001018 fatty acid oxidation (hexanoate) PW001019 fatty acid oxidation (laurate) PW001020 fatty acid oxidation (myristate) PW001021 fatty acid oxidation (octanoate) PW001022 fatty acid oxidation (palmitate) PW001023 fatty acid oxidation (steareate) PW001024 fructose metabolism PW000913 glycerol metabolism PW000914 glycerol metabolism II PW000915 glycerol metabolism III (sn-glycero-3-phosphoethanolamine) PW000916 glycerol metabolism IV (glycerophosphoglycerol) PW000917 glycerol metabolism V (glycerophosphoserine) PW000918 glycolysis and pyruvate dehydrogenase PW000785 purine nucleotides de novo biosynthesis PW000910 purine nucleotides de novo biosynthesis 1435709748 PW000960 superpathway of D-glucarate and D-galactarate degradation PW000795 tRNA Charging 2 PW000803 tRNA charging PW000799 Phenylethylamine metabolism PW002027 Citrate lyase activation PW002075 D-arabinose degradation I PW002038 Enterobactin Biosynthesis PW002048 L-carnitine degradation I PW002037 adenine and adenosine salvage III PW002072 biotin-carboxyl carrier protein assembly PW002067 purine nucleotides de novo biosynthesis 2 PW002033 Acetate metabolism PW002090 adenosine nucleotides degradation PW002091 | 347.2212 C10H14N5O7P |  |
| ECMDB00048 | Melibiose 585-99-9 | (2S,3R,4S,5R,6R)-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol | 342.2965 C12H22O11 |  | |
| ECMDB00050 | Adenosine 58-61-7 | (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 267.2413 C10H13N5O4 |  | |
| ECMDB00051 | Ammonia 7664-41-7 | ammonia | Folate biosynthesis PW000908 More...Sulfur metabolism PW000922 Tryptophan metabolism PW000815 One carbon pool by folate PW000773 beta-Alanine metabolism PW000896 D-Glutamine and D-glutamate metabolism PW000769 Aspartate metabolism PW000787 L-glutamate metabolism PW000789 L-glutamate metabolism II PW001886 One Carbon Pool by Folate I PW001735 | 17.0305 H3N |  |
| ECMDB00055 | Cellobiose 528-50-7 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol | Starch and sucrose metabolism PW000941 | 342.2965 C12H22O11 |  |
| ECMDB00056 | beta-Alanine 107-95-9 | 3-aminopropanoic acid | 89.0932 C3H7NO2 |  | |
| ECMDB00058 | Cyclic AMP 60-92-4 | (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one | 329.2059 C10H12N5O6P |  | |
| ECMDB00060 | Acetoacetic acid 541-50-4 | 3-oxobutanoic acid | 102.0886 C4H6O3 |  | |
| ECMDB00061 | Adenosine 3',5'-diphosphate 1053-73-2 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid | 427.2011 C10H15N5O10P2 |  | |
| ECMDB00062 | Carnitine 541-15-1 | (3-carboxy-2-hydroxypropyl)trimethylazanium | 162.2068 C7H16NO3 |  | |
| ECMDB00071 | Deoxyinosine 890-38-0 | 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol | purine deoxyribonucleosides degradation PW002077 | 252.2267 C10H12N4O4 |  |
| ECMDB00072 | cis-Aconitic acid 585-84-2 | (1Z)-prop-1-ene-1,2,3-tricarboxylic acid | Secondary Metabolites: Glyoxylate cycle PW000967 TCA cycle PW000779 TCA cycle (ubiquinol-10) PW001010 TCA cycle (ubiquinol-2) PW001002 More...TCA cycle (ubiquinol-3) PW001003 TCA cycle (ubiquinol-4) PW001004 TCA cycle (ubiquinol-5) PW001005 TCA cycle (ubiquinol-6) PW001006 TCA cycle (ubiquinol-7) PW001007 TCA cycle (ubiquinol-8) PW001008 TCA cycle (ubiquinol-9) PW001009 TCA cycle (ubiquinol-0) PW002023 glycolate and glyoxylate degradation II PW002021 | 174.1082 C6H6O6 |  |
| ECMDB00073 | Dopamine 62-31-7 | 4-(2-aminoethyl)benzene-1,2-diol | 153.1784 C8H11NO2 |  | |
| ECMDB00076 | Dihydrouracil 504-07-4 | 1,3-diazinane-2,4-dione | 114.1026 C4H6N2O2 |  |