cholic acid
MediLexicon cholic acid - Medical Dictionary Definition for Term 'cholic acid'
[1. A family of steroids comprising the bile acids (or salts), generally in conjugated form (glycocholic and taurocholic acids). Chemically, cholic acids are cholan-24-oic (cholanic) acids (the terminal C24 of cholane becoming a —COOH group); biologically, cholic acids are derived from cholesterol (a cholestane derivative) and display varying degrees of oxidation (OH groups) and orientation at positions 3, 7, and 12. It is these oxidations and orientations that distinguish the several cholic acid; cholic acid is 3α,7α,12α-trihydroxy-5β-cholan-24-oic acid, and deoxycholic acid is 3α,12α-dihydroxy-5β-cholanic acid. Cholic acid is a naturally occurring detergent in mammals that aids in the digestion of fats.
Molecular Formula:
C24H40O5
InChI: InChI=1/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/f/h28H
InChIKey: InChIKey=BHQCQFFYRZLCQQ-NQEZNTFZDD
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(O)=O
CAS number 81-25-4
Names:
CHD
Cholate
Cholic acid
CHOLIC ACID
cholic acid
Cholsäure
(3α,5β,7α,12α)-3,7,12-trihydroxycholan-24-oic acid
(4R)-4-[(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3α,7α,12α-trihydroxy-5β-cholanic acid
Registries:
PubChem CID 221493
Beilstein =2822009
CAS 81-25-4 (from NIST)
ChEBI 16359
chemPDB CHD
Kegg C00695
LIPID MAPS LMST04010001
PubChem ID 11110315
PubChem ID 3963
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