MSI_000004357

Unreliable

排名分数: 0.73
参考来源: Homo sapiens (UBERON:0002107: liver)

M/z: 835.1334
Mass Window: 835.1334 ~ 835.1334 (none)

参考注释

3-hydroxypropanoyl-CoA_[M]+ (BioDeep_00000228841)
4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-[2-({2-[(3-hydroxypropanoyl)sulphanyl]ethyl}carboximidato)ethyl]-3,3-dimethylbutanecarboximidic acid

Formula: C24H36N7O18P3S (835.1050346000001)
SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCO

3-hydroxypropanoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-hydroxypropanoyl-coa can be found in a number of food items such as wild carrot, kale, pulses, and pecan nut, which makes 3-hydroxypropanoyl-coa a potential biomarker for the consumption of these food products.