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7-oxolithocholic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_82679

A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.

Term info

Label

7-oxolithocholic acid

Synonyms
  • (3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid
  • 7-oxolithocholic acid
database cross reference
Subsets

3_STAR

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

charge

0

formula

C24H38O4

has obo namespace

chebi_ontology

has related synonym

3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid, 3alpha-Hydroxy-7-oxo-5beta-cholanic acid, 7-Ketolithocholic acid, 7-oxo-3alpha-hydroxycholan-24-oic acid, Nutriacholic acid, 3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid

id

CHEBI:82679

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)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

inchikey

DXOCDBGWDZAYRQ-AURDAFMXSA-N

mass

390.55610

monoisotopicmass

390.27701

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