CHEBI:36238 - 5β-cholanic acid

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ChEBI Name 5β-cholanic acid
ChEBI ID CHEBI:36238
ChEBI ASCII Name 5beta-cholanic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H40O2
Net Charge 0
Average Mass 360.57320
Monoisotopic Mass 360.30283
InChI InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey RPKLZQLYODPWTM-LVVAJZGHSA-N
SMILES [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O
ChEBI Ontology
Outgoing 5β-cholanic acid (CHEBI:36238) is a 5β-cholanic acids (CHEBI:36248)
5β-cholanic acid (CHEBI:36238) is a cholanic acid (CHEBI:36237)
Incoming hydroxy-5β-cholanic acid (CHEBI:24663) has functional parent 5β-cholanic acid (CHEBI:36238)
oxo-5β-cholanic acid (CHEBI:25753) has functional parent 5β-cholanic acid (CHEBI:36238)
IUPAC Name
5β-cholan-24-oic acid
Synonyms Sources
(5β)-cholan-24-oic acid ChemIDplus
(5β,17β)-γ-methylandrostane-17-butanoic acid ChemIDplus
5β-cholanic acid ChemIDplus
5β-cholanoic acid ChemIDplus
ursocholanic acid ChemIDplus
Manual Xref Database
LMST04010441 LIPID MAPS
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Registry Numbers Types Sources
3214794 Beilstein Registry Number Beilstein
546-18-9 CAS Registry Number ChemIDplus
Last Modified
18 October 2009