Metabolites
Displaying metabolites 3251 - 3275 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB04012 | Alpha-D-Galactose 59-23-4 | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | 180.1559 C6H12O6 |  | |
| ECMDB04011 | Galactose 1-phosphate 2255-14-3 | {[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid | 260.1358 C6H13O9P |  | |
| ECMDB04010 | alpha,alpha-Trehalose 6-phosphate 4484-88-2 | [(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]phosphonic acid | 422.2764 C12H23O14P |  | |
| ECMDB04007 | Allolactose 645-03-4 | (3R,4S,5S,6R)-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol | 342.2965 C12H22O11 |  | |
| ECMDB04005 | 2-Acylglycerophosphocholine | [2-(formyloxy)-3-hydroxypropoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid | 286.2393 C9H21NO7P |  | |
| ECMDB04002 | 2-Acetolactate | 2-hydroxy-2-methyl-3-oxobutanoic acid | 132.1146 C5H8O4 |  | |
| ECMDB04001 | 2-Aceto-2-hydroxy-butyrate 3142-65-2 | (2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid | isoleucine biosynthesis PW000818 | 146.1412 C6H10O4 |  |
| ECMDB03974 | Oxalosuccinic acid 1948-82-9 | 1-oxopropane-1,2,3-tricarboxylic acid | Glutathione metabolism PW000833 | 190.1076 C6H6O7 |  |
| ECMDB03971 | beta-D-Fructose 6-phosphate | {[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid | 260.1358 C6H13O9P |  | |
| ECMDB03949 | (2E)-Octenoyl-CoA 10018-94-7 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 891.714 C29H48N7O17P3S |  | |
| ECMDB03948 | (2E)-Decenoyl-CoA 10018-95-8 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 919.768 C31H52N7O17P3S |  | |
| ECMDB03946 | (2E)-Tetradecenoyl-CoA 38795-33-4 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 975.874 C35H60N7O17P3S |  | |
| ECMDB03945 | (2E)-Hexadecenoyl-CoA 4460-95-1 | {[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(hexadec-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 999.895 C37H60N7O17P3S |  | |
| ECMDB03944 | trans-2-Hexenoyl-CoA 10018-93-6 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-hex-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 863.661 C27H44N7O17P3S |  | |
| ECMDB03943 | 3-Oxohexanoyl-CoA 19774-86-8 | {[(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-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 879.661 C27H44N7O18P3S |  | |
| 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 |  | |
| ECMDB03941 | 3-Oxooctanoyl-CoA 54684-64-9 | {[(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-oxooctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 907.714 C29H48N7O18P3S |  | |
| 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 |  | |
| 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 |  | |
| 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 |  | |
| ECMDB03937 | 3-Oxododecanoyl-CoA 78303-19-2 | {[(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-oxododecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 963.82 C33H56N7O18P3S |  | |
| 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 |  | |
| ECMDB03935 | 3-Oxotetradecanoyl-CoA 122364-86-7 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 991.873 C35H60N7O18P3S |  | |
| 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 |  | |
| 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 |  |