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7-oxolithocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_78605

A bile acid anion that is the conjugate base of 7-oxolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

7-oxolithocholate

Synonyms
  • (3alpha,5beta)-3-hydroxy-7-oxocholan-24-oate
  • 7-oxolithocholate
Subsets

3_STAR

IUPAC NAME
(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oate [ IUPAC ]

charge

-1

formula

C24H37O4

has obo namespace

chebi_ontology

has related synonym

7-ketolithocholate, 7-oxo-3alpha-hydroxy-5beta-cholan-24-oate

id

CHEBI:78605

inchi

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

inchikey

DXOCDBGWDZAYRQ-AURDAFMXSA-M

mass

389.54870

monoisotopicmass

389.26973

smiles

C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O