Metabolites
Displaying metabolites 3676 - 3700 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB21102 | (S)-Propane-1,2-diol 4254-15-3 | (2S)-propane-1,2-diol | Propanoate metabolism PW000940 | 76.0944 C3H8O2 |  |
| ECMDB02310 | (S)-Methylmalonyl-CoA 104809-02-1 | (2S)-3-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid | Propanoate metabolism PW000940 | 867.607 C25H40N7O19P3S |  |
| ECMDB02217 | (S)-Methylmalonic acid semialdehyde 99043-16-0 | (2S)-2-methyl-3-oxopropanoic acid | Propanoate metabolism PW000940 | 102.0886 C4H6O3 |  |
| ECMDB23841 | (S)-Lactaldehyde 3913-64-2 | (2S)-2-hydroxypropanal | Propanoate metabolism PW000940 | 74.079 C3H6O2 |  |
| ECMDB03940 | (S)-Hydroxyoctanoyl-CoA 79171-48-5 | (2R)-4-({[({[(2R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid | 909.73 C29H50N7O18P3S |  | |
| ECMDB03942 | (S)-Hydroxyhexanoyl-CoA 74875-70-0 | 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid | 881.677 C27H46N7O18P3S |  | |
| ECMDB03938 | (S)-Hydroxydecanoyl-CoA 6245-70-1 | {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 937.783 C31H54N7O18P3S |  | |
| ECMDB02166 | (S)-b-aminoisobutyric acid 4249-19-8 | (2S)-3-amino-2-methylpropanoic acid | 103.1198 C4H9NO2 |  | |
| ECMDB20017 | (S)-4-Amino-5-oxopentanoate | (4S)-4-amino-5-oxopentanoic acid | Porphyrin metabolism PW000936 | 131.1299 C5H9NO3 |  |
| ECMDB03934 | (S)-3-Hydroxytetradecanoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 993.889 C35H62N7O18P3S |  | |
| ECMDB21101 | (S)-3-Hydroxyoctadecanoyl-CoA | {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | fatty acid oxidation (steareate) PW001024 | 1049.995 C39H70N7O18P3S |  |
| ECMDB01052 | (S)-3-Hydroxyisobutyryl-CoA 319440-43-2 | {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 853.623 C25H42N7O18P3S |  | |
| ECMDB24013 | (S)-3-Hydroxyisobutyric acid | (2S)-3-hydroxy-2-methylpropanoic acid | 104.1045 C4H8O3 |  | |
| ECMDB03932 | (S)-3-Hydroxyhexadecanoyl-CoA 35106-50-4 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 1021.942 C37H66N7O18P3S |  | |
| ECMDB03936 | (S)-3-Hydroxydodecanoyl-CoA 72059-49-5 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 965.836 C33H58N7O18P3S |  | |
| ECMDB21642 | (S)-3-Hydroxybutanoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 853.623 C25H42N7O18P3S |  | |
| ECMDB06855 | (S)-2-Acetolactate | (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid | 132.1146 C5H8O4 |  | |
| ECMDB24187 | (S)-2,3,4,5-tetrahydrodipicolinate | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate | Lysine biosynthesis PW000771 | 169.137 C7H7NO4 |  |
| ECMDB23106 | (S)-1-pyrroline-5-carboxylate | (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid | 113.1146 C5H7NO2 |  | |
| ECMDB20018 | (S)(+)-Allantoin 97-59-6 | N-[(4S)-2,5-dihydroxy-4H-imidazol-4-yl]carbamimidic acid | 158.1154 C4H6N4O3 |  | |
| ECMDB21100 | (R)-Propane-1,2-diol 4254-14-2 | (2R)-propane-1,2-diol | Propanoate metabolism PW000940 | 76.0944 C3H8O2 |  |
| ECMDB20016 | (R)-Pantoate 470-29-1 | (2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid | 147.151 C6H11O4 |  | |
| ECMDB21641 | (R)-Methylmalonyl-CoA | (2R)-3-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid | Propanoate metabolism PW000940 | 867.607 C25H40N7O19P3S |  |
| ECMDB20015 | (R)-Malate 636-61-3 | (2R)-2-hydroxybutanedioic acid | 134.0874 C4H6O5 |  | |
| ECMDB24069 | (R)-lipoic acid | 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid | 206.326 C8H14O2S2 |  |