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glycocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_29746

A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

glycocholate

Synonyms
  • N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate
  • glycocholate
database cross reference
Subsets

3_STAR

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

charge

-1

formula

C26H42NO6

has alternative id

CHEBI:14345, CHEBI:24377, CHEBI:58235

has obo namespace

chebi_ontology

id

CHEBI:29746

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)/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

inchikey

RFDAIACWWDREDC-FRVQLJSFSA-M

mass

464.61482

monoisotopicmass

464.30176

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)NCC([O-])=O