3b,7a,12a-Trihydroxy-5a-Cholanoic acid
IUPAC 名称
(4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid
描述
A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3b,7a,12a-Trihydroxy-5a-Cholanoic acid has been identified in the bile, plasma and urine of patients with delta 4-3-oxosteroid 5 beta-reductase deficiency with neonatal hepatitis, an inborn error in bile acid synthesis. (PMID 3198770) [HMDB]
异构
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C
InChI标识符
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
键
BHQCQFFYRZLCQQ-OJGXVJBCSA-N