Metabolites
Displaying metabolites 401 - 425 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB02069 | Pyrazinic acid 98-97-5 | pyrazine-2-carboxylic acid | 124.0975 C5H4N2O2 |  | |
| ECMDB02070 | 4-Hydroxy-2-oxoglutaric acid | 2-hydroxy-4-oxopentanedioic acid | 162.0975 C5H6O6 |  | |
| ECMDB02078 | Cyanate 71000-82-3 | cyanic acid | 42.0168 CNO |  | |
| ECMDB02084 | Cyanide 57-12-5 | methylidyneazanidyl | 27.0253 CHN |  | |
| ECMDB02086 | Adenosylcobalamin 13870-90-1 | {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(2R,3S,4S,8S,9S,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-[({[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobaltylium | 1580.5897 C72H101CoN18O17P |  | |
| ECMDB02092 | Itaconic acid 97-65-4 | 2-methylidenebutanedioic acid | 130.0987 C5H6O4 |  | |
| ECMDB02134 | Aminoacetone 298-08-8 | 1-aminopropan-2-one | 73.0938 C3H7NO |  | |
| ECMDB02158 | Coproporphyrinogen I 31110-56-2 | 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid | Porphyrin metabolism PW000936 | 660.7566 C36H44N4O8 |  |
| ECMDB02159 | 3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA 2461-62-3 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 1184.171 C48H80N7O19P3S |  | |
| ECMDB02165 | Glycolaldehyde 141-46-8 | 2-hydroxyacetaldehyde | 60.052 C2H4O2 |  | |
| ECMDB02166 | (S)-b-aminoisobutyric acid 4249-19-8 | (2S)-3-amino-2-methylpropanoic acid | 103.1198 C4H9NO2 |  | |
| ECMDB02206 | Molybdopterin 73508-07-3 | molybdenum(2+) ion 8-[(hydrogen phosphonooxy)methyl]-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-4-olate dihydrate | 521.27 C10H12MoN5O8PS2 |  | |
| ECMDB02211 | Uroporphyrinogen I 1867-62-5 | 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid | Porphyrin metabolism PW000936 | 836.7946 C40H44N4O16 |  |
| ECMDB02217 | (S)-Methylmalonic acid semialdehyde 99043-16-0 | (2S)-2-methyl-3-oxopropanoic acid | Propanoate metabolism PW000940 | 102.0886 C4H6O3 |  |
| ECMDB02251 | L-Homoserine 672-15-1 | (2S)-2-amino-4-hydroxybutanoic acid | 119.1192 C4H9NO3 |  | |
| ECMDB02255 | R-Methylmalonyl-CoA 73173-92-9 | (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 | 867.607 C25H40N7O19P3S |  | |
| ECMDB02260 | Gallic acid 149-91-7 | 3,4,5-trihydroxybenzoic acid | 170.1195 C7H6O5 |  | |
| ECMDB02275 | 7,8-Dihydroneopterin 1218-98-0 | 2-amino-6-(1,2,3-trihydroxypropyl)-1,4,7,8-tetrahydropteridin-4-one | 255.2306 C9H13N5O4 |  | |
| ECMDB02307 | Acrylyl-CoA 5776-58-9 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 821.582 C24H38N7O17P3S |  | |
| 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 |  |
| ECMDB02322 | Cadaverine 462-94-2 | pentane-1,5-diamine | 102.1781 C5H14N2 |  | |
| ECMDB02329 | Oxalic acid 144-62-7 | oxalic acid | 90.0349 C2H2O4 |  | |
| ECMDB02434 | Hydroquinone 123-31-9 | benzene-1,4-diol | TCA cycle PW000779 More...TCA cycle (ubiquinol-10) PW001010 TCA cycle (ubiquinol-2) PW001002 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 | 110.1106 C6H6O2 |  |
| ECMDB02649 | D-Erythrose 4-phosphate 585-18-2 | [(2R,3R)-2,3-dihydroxy-4-oxobutoxy]phosphonic acid | 200.0838 C4H9O7P |  | |
| ECMDB02654 | Phenylethylamine 64-04-0 | 2-phenylethan-1-amine | 121.1796 C8H11N |  |