Metabolites
Displaying metabolites 3376 - 3400 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB03939 | 3-Oxodecanoyl-CoA 50411-91-1 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxodecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 935.767 C31H52N7O18P3S |  | |
| ECMDB20077 | 3-Oxoadipyl-CoA | 6-({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)-4,6-dioxohexanoic acid | Phenylalanine metabolism PW000921 | 907.67 C28H44N7O19P3S |  |
| ECMDB23862 | 3-Oxoacyl-[acyl-carrier protein] | (4R)-4,5-dihydroxy-2-oxopentanoic acid | 148.114 C5H8O5 |  | |
| ECMDB23793 | 3-Oxoacyl-CoA | (3S)-2-oxo-3-phenylbutanoic acid | Fatty acid metabolism PW000796 | 178.187 C10H10O3 |  |
| ECMDB20075 | 3-Oxo-OPC6-CoA | 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-3,3-dimethyl-N-(2-{[2-({3-oxo-6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoyl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid | 1029.878 C37H58N7O19P3S |  | |
| ECMDB20074 | 3-Oxo-OPC4-CoA | 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-3,3-dimethyl-N-(2-{[2-({3-oxo-4-[(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoyl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid | 1001.825 C35H54N7O19P3S |  | |
| ECMDB23158 | 3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde | (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)-N-{2-[(2-{[(5Z)-3,8-dioxooct-5-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-2-hydroxy-3,3-dimethylbutanimidic acid | 919.681 C29H44N7O19P3S |  | |
| ECMDB21172 | 3-Oxo-5,6-dehydrosuberyl-CoA | 8-({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)-6,8-dioxooct-3-enoic acid | 935.681 C29H44N7O20P3S |  | |
| ECMDB21169 | 3-Octaprenyl-4-hydroxybenzoate | 4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoic acid | 683.0569 C47H70O3 |  | |
| ECMDB24014 | 3-O-Sulfogalactosylceramide (d18:1/24:0) | [(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid | 892.317 C48H93NO11S |  | |
| ECMDB01493 | 3-Methylcrotonyl-CoA 793193-48-3 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 849.635 C26H42N7O17P3S |  | |
| ECMDB00491 | 3-Methyl-2-oxovaleric acid 1460-34-0 | 3-methyl-2-oxopentanoic acid | 130.1418 C6H10O3 |  | |
| ECMDB01368 | 3-Mercaptopyruvic acid 2464-23-5 | 2-oxo-3-sulfanylpropanoic acid | Hydrogen Sulfide Biosynthesis I PW002066 | 120.127 C3H4O3S |  |
| ECMDB21494 | 3-Keto-L-gulonic acid 526-98-7 | (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid | 194.1394 C6H10O7 |  | |
| ECMDB20271 | 3-Keto-L-gulonate 6-phosphate | 2,4,5-trihydroxy-3-oxo-6-(phosphonooxy)hexanoic acid | Ascorbate metabolism PW000793 | 272.103 C6H9O10P |  |
| ECMDB24004 | 3-keto-5-cis-tetradecenoyl-CoA | (2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(5Z)-3-oxotetradec-5-enoyl]sulfanyl}ethyl)carboximidato]ethyl}butanecarboximidate | 985.83 C35H54N7O18P3S |  | |
| ECMDB04158 | 3-Isopropylmalate 921-28-8 | (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid | 176.1672 C7H12O5 |  | |
| ECMDB24043 | 3-Hydroxysuberic acid | 3-hydroxyoctanedioic acid | 190.1938 C8H14O5 |  | |
| ECMDB21168 | 3-Hydroxypropanoate 503-66-2 | 3-hydroxypropanoic acid | Uracil degradation III PW002026 | 90.0779 C3H6O3 |  |
| ECMDB21493 | 3-Hydroxymyristic acid 1961-72-4 | 3-hydroxytetradecanoic acid | 244.3703 C14H28O3 |  | |
| ECMDB06870 | 3-Hydroxyisovaleryl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 867.65 C26H44N7O18P3S |  | |
| ECMDB00023 | 3-Hydroxyisobutyric acid 2068-83-9 | 3-hydroxy-2-methylpropanoic acid | 104.1045 C4H8O3 |  | |
| ECMDB21171 | 3-Hydroxycinnamic acid 588-30-7 | (2E)-3-(3-hydroxyphenyl)prop-2-enoic acid | 164.158 C9H8O3 |  | |
| ECMDB01166 | 3-Hydroxybutyryl-CoA 2871-66-1 | {[(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 |  | |
| ECMDB21418 | 3-Hydroxybutyric acid 300-85-6 | 3-hydroxybutanoic acid | 104.1045 C4H8O3 |  |