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glycocholic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_17687

A bile acid glycine conjugate having cholic acid as the bile acid component.

Term info

Label

glycocholic acid

Synonyms
  • GLYCOCHOLIC ACID
  • Glycocholic acid
  • N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine
database cross reference
Subsets

3_STAR

IUPAC NAME
N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine [ IUPAC ]

charge

0

formula

C26H43NO6

has alternative id

CHEBI:5464, CHEBI:24378, CHEBI:11894, CHEBI:20215, CHEBI:42804

has obo namespace

chebi_ontology

has related synonym

3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine, N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine, N-choloylglycine, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine

id

CHEBI:17687

inchi

InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

inchikey

RFDAIACWWDREDC-FRVQLJSFSA-N

mass

465.62270

monoisotopicmass

465.30904

smiles

C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C