CHEBI:78603 - 3β-hydroxy-7-oxo-5β-cholan-24-oate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-hydroxy-7-oxo-5β-cholan-24-oate
ChEBI ID CHEBI:78603
ChEBI ASCII Name 3beta-hydroxy-7-oxo-5beta-cholan-24-oate
Definition A steroid acid anion that is the conjugate base of 3β-hydroxy-7-oxo-5β-cholan-24-oic 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-QCXZXCEPSA-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 3β-hydroxy-7-oxo-5β-cholan-24-oate (CHEBI:78603) is a steroid acid anion (CHEBI:50160)
3β-hydroxy-7-oxo-5β-cholan-24-oate (CHEBI:78603) is conjugate base of 3β-hydroxy-7-oxo-5β-cholan-24-oic acid (CHEBI:82678)
Incoming 3β-hydroxy-7-oxo-5β-cholan-24-oic acid (CHEBI:82678) is conjugate acid of 3β-hydroxy-7-oxo-5β-cholan-24-oate (CHEBI:78603)
IUPAC Name
(3β,5β)-3-hydroxy-7-oxocholan-24-oate
Synonym Source
3β-hydroxy-7-oxo-5β-cholan-24-oate UniProt
Last Modified
12 August 2014