MSI_000007789

排名分数: 1.49
参考来源: Rattus norvegicus (UBERON:0004359: corpus epididymis)

M/z: 378.2868
Mass Window: 378.2868 ~ 378.2868 (none)

参考注释

3-oxocholest-4-en-26-oate_[M+H-2H2O]+ (BioDeep_00000896533)
(6R)-6-[(1S,2R,10S,11S,14R,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-2-methylheptanoate

Formula: C27H41O3- (413.30555360000005)
SMILES: [H]C(C)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C([O-])=O

3-oxocholest-4-en-26-oate belongs to bile acids, alcohols and derivatives class of compounds. Those are organic compounds containing an alcohol or acid derivative of cholic acid. 3-oxocholest-4-en-26-oate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxocholest-4-en-26-oate can be found in a number of food items such as acerola, tamarind, chinese chives, and quince, which makes 3-oxocholest-4-en-26-oate a potential biomarker for the consumption of these food products.