MSI_000052596

Unreliable

排名分数: 1.37
参考来源: Homo sapiens (UBERON:0001052: rectum)

M/z: 420.267
Mass Window: 420.267 ~ 420.267 (none)

参考注释

3-Oxocholic acid_[M]+ (BioDeep_00000019003)
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

Formula: C24H38O5 (406.2719098)
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

3-Oxocholic acid, also known as 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid, is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. 3-Oxocholic acid is considered to be practically insoluble (in water) and acidic. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 3-Oxocholic acid is an oxo-bile acid metabolite and also a major degradation product from cholic by C. perfringens in the intestine. 3-Oxocholic acid is steroid acid found predominantly in bile of mammals[1][2][3].