MSI_000011195

Unreliable

排名分数: 1.81
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 852.1035
Mass Window: 852.1035 ~ 852.1035 (none)

参考注释

oxalyl-CoA_[M+NH4]+ (BioDeep_00000229124)
2-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-2-oxoacetic acid

Formula: C23H31N7O19P3S (834.0608266)
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)C([O-])=O

Oxalyl-coa is a member of the class of compounds known as acyl coas. Acyl coas are organic compounds containing a coenzyme A substructure linked to an acyl chain. Oxalyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Oxalyl-coa can be found in a number of food items such as peppermint, tinda, angelica, and common chokecherry, which makes oxalyl-coa a potential biomarker for the consumption of these food products.