Metabolites
YMDB ID | Name CAS Number | IUPAC Name | Formula Weight | Structure |
---|---|---|---|---|
YMDB01430 | 2-methoxyphenol 90-05-1 | 2-methoxyphenol | C7H8O2 124.1372 | |
YMDB00361 | 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid 89771-75-5 | (3R,4S,5R)-5-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid | C10H13O10P 324.178 | |
YMDB00659 | 2'-Deoxyinosine 890-38-0 | 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol | C10H12N4O4 252.2267 | |
YMDB01647 | Carvacrol 89-83-8 | 2-methyl-5-(propan-2-yl)phenol | C10H14O 150.2176 | |
YMDB01741 | Menthone 89-80-5 | (2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-one | C10H18O 154.2493 | |
YMDB00007 | Quinolinic acid 89-00-9 | pyridine-2,3-dicarboxylic acid | C7H5NO4 167.1189 | |
YMDB02215 | PC(O-16:0/18:2(9Z,12Z)) 88542-95-4 | (2-{[(2R)-3-(hexadecyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium | C42H82NO7P 744.0767 | |
YMDB01253 | PS(16:0/18:1(9Z)) 88430-50-6 | (2S)-2-amino-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid | C40H76NO10P 762.019 | |
YMDB00291 | Inositol 1,4,5-trisphosphate 88269-39-0 | {[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid | C6H15O15P3 420.0956 | |
YMDB01804 | Vanillyl acetate 881-68-5 | 4-formyl-2-methoxyphenyl acetate | C10H10O4 194.184 | |
YMDB01431 | 2-acetylthiophene 88-15-3 | 1-(thiophen-2-yl)ethan-1-one | C6H6OS 126.176 | |
YMDB01508 | 4-Ethyl-2-isopropyl-5-methylthiazole 87116-68-5 | 4-ethyl-5-methyl-2-(propan-2-yl)-1,3-thiazole | C9H15NS 169.287 | |
YMDB00778 | Xylitol 87-99-0 | (2R,4S)-pentane-1,2,3,4,5-pentol | C5H12O5 152.1458 | |
YMDB01406 | diethyl tartrate 87-91-2 | 1,4-diethyl 2,3-dihydroxybutanedioate | C8H14O6 206.1932 | |
YMDB00173 | Myoinositol 87-89-8 | (1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol | C6H12O6 180.1559 | |
YMDB00204 | L-Sorbose 87-79-6 | (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | C6H12O6 180.1559 | |
YMDB01788 | Tartaric acid 87-69-4 | 2,3-dihydroxybutanedioic acid | C4H6O6 150.0868 | |
YMDB00576 | indole-3-acetate 87-51-4 | 2-(1H-indol-3-yl)acetic acid | C10H9NO2 175.184 | |
YMDB01597 | 2,4,6-Trichloroanisole 87-40-1 | 1,3,5-trichloro-2-methoxybenzene | C7H5Cl3O 211.473 | |
YMDB00477 | 3-oxooctadecanoyl-CoA 86370-20-9 | {[(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-oxooctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | C39H68N7O18P3S 1047.98 | |
YMDB00129 | 5-Methylthioribulose 1-phosphate 86316-83-8 | {[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid | C6H13O7PS 260.202 | |
YMDB00910 | IDP 86-04-4 | [({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid | C10H14N4O11P2 428.1859 | |
YMDB00558 | GTP 86-01-1 | ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid | C10H16N5O14P3 523.1804 | |
YMDB00889 | Pyridoxamine 85-87-0 | 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol | C8H12N2O2 168.1931 | |
YMDB00045 | Coenzyme A 85-61-0 | {[(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-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | C21H36N7O16P3S 767.534 |