Terminology Service for NFDI4Health
JSON

cholic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_16359

A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.

Term info

Label

cholic acid

Synonyms
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
  • CHOLIC ACID
  • Cholic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid [ IUPAC ]

charge

0

formula

C24H40O5

has alternative id

CHEBI:23210, CHEBI:41494, CHEBI:20223, CHEBI:1694

has obo namespace

chebi_ontology

has related synonym

3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid, (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate, Cholsaeure

id

CHEBI:16359

inchi

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

inchikey

BHQCQFFYRZLCQQ-OELDTZBJSA-N

mass

408.57140

monoisotopicmass

408.28757

smiles

[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O