Metabolites
YMDB ID | Name CAS Number | IUPAC Name | Formula Weight | Structure |
---|---|---|---|---|
YMDB00261 | Guanosine monophosphate 85-32-5 | {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid | C10H14N5O8P 363.2206 | |
YMDB01526 | Phylloquinone 84-80-0 | 2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione | C31H46O2 450.6957 | |
YMDB01532 | Tetradecenoylcarnitine 835598-21-5 | 3-[(5Z)-tetradec-5-enoyloxy]-4-(trimethylazaniumyl)butanoate | C21H39NO4 369.5387 | |
YMDB00534 | Riboflavin 83-88-5 | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione | C17H20N4O6 376.3639 | |
YMDB00500 | Myo-Inositol hexakisphosphate 83-86-3 | {[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid | C6H18O24P6 660.0353 | |
YMDB00977 | Precorrin-2 82542-92-5 | 3-[(4S,5S,6Z,9S,10S,11Z)-9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetrakis(carboxymethyl)-5,10-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,6,8(23),11,13,15,18-octaen-4-yl]propanoic acid | C42H48N4O16 864.8477 | |
YMDB00973 | cyclotriphosphoric acid 82422-46-6 | trihydroxy-1,3,5,2λ⁵,4λ⁵,6λ⁵-trioxatriphosphinane-2,4,6-trione | H3O9P3 239.9397 | |
YMDB01578 | 1,4-Decanolide 82373-92-0 | 5-pentyloxolan-2-one | C9H16O2 156.2221 | |
YMDB01383 | 2-nonanone 821-55-6 | nonan-2-one | C9H18O 142.2386 | |
YMDB00756 | 3-phospho-D-glyceric acid 820-11-1 | (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid | C3H7O7P 186.0572 | |
YMDB00341 | 3-Phosphoglyceric acid 820-11-1 | 2-hydroxy-3-(phosphonooxy)propanoic acid | C3H7O7P 186.0572 | |
YMDB00388 | Ketoleucine 816-66-0 | 4-methyl-2-oxopentanoic acid | C6H10O3 130.1418 | |
YMDB00753 | sedoheptulose 1,7-bisphosphate 815-91-8 | {[(3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-oxo-7-(phosphonooxy)heptyl]oxy}phosphonic acid | C7H16O13P2 370.1417 | |
YMDB00770 | taurocholic acid 81-24-3 | 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid | C26H45NO7S 515.703 | |
YMDB01176 | PC(14:0/16:0) 8002-43-5 | (2-{[(2R)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium | C38H76NO8P 705.9857 | |
YMDB01177 | PC(14:0/16:1(9Z)) 8002-43-5 | (2-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium | C38H74NO8P 703.9698 | |
YMDB01178 | PC(14:1(9Z)/16:1(9Z)) 8002-43-5 | (2-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium | C38H72NO8P 701.9539 | |
YMDB01181 | PC(16:0/16:1(9Z)) 8002-43-5 | (2-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium | C40H78NO8P 732.023 | |
YMDB01182 | PC(16:0/18:0) 8002-43-5 | (2-{[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium | C42H84NO8P 762.092 | |
YMDB01183 | PC(16:0/18:1(9Z)) 8002-43-5 | (2-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium | C42H82NO8P 760.0761 | |
YMDB01185 | PC(16:1(9Z)/16:1(9Z)) 8002-43-5 | (2-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium | C40H76NO8P 730.0071 | |
YMDB01186 | PC(16:1(9Z)/18:1(9Z)) 8002-43-5 | (2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium | C42H80NO8P 758.0603 | |
YMDB01188 | PC(18:0/18:0) 8002-43-5 | (2-{[(2R)-2,3-bis(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium | C44H88NO8P 790.1452 | |
YMDB01189 | PC(18:0/18:1(9Z)) 8002-43-5 | trimethyl(2-{[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl phosphono]oxy}ethyl)azanium | C44H86NO8P 788.1293 | |
YMDB00916 | dCDP 800-73-7 | [({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid | C9H15N3O10P2 387.177 |