CHEBI:78605 - 7-oxolithocholate

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ChEBI Name 7-oxolithocholate
ChEBI ID CHEBI:78605
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C24H37O4
Net Charge -1
Average Mass 389.54870
Monoisotopic Mass 389.26973
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
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
ChEBI Ontology
Outgoing 7-oxolithocholate (CHEBI:78605) is a bile acid anion (CHEBI:36235)
7-oxolithocholate (CHEBI:78605) is conjugate base of 7-oxolithocholic acid (CHEBI:82679)
Incoming 7-oxolithocholic acid (CHEBI:82679) is conjugate acid of 7-oxolithocholate (CHEBI:78605)
IUPAC Name
(3α,5β)-3-hydroxy-7-oxocholan-24-oate
Synonyms Sources
7-ketolithocholate ChEBI
7-oxo-3α-hydroxy-5β-cholan-24-oate SUBMITTER
7-oxolithocholate UniProt
Last Modified
06 July 2017