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CHEBI:36238 - 5β-cholanic acid

ChEBI IDCHEBI:36238
ChEBI Name5β-cholanic acid
Stars
ASCII Name5beta-cholanic acid
Last Modified17 October 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC24H40O2
Net Charge0
Average Mass360.582
Monoisotopic Mass360.30283
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])CC2
InChIInChI=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
InChIKeyRPKLZQLYODPWTM-LVVAJZGHSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-cholanic acid (CHEBI:36238) is a 5β-cholanic acids (CHEBI:36248)
5β-cholanic acid (CHEBI:36238) is a cholanic acid (CHEBI:36237)
Incoming Relation(s)
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  Source
5β-cholanic acidChemIDplus
5β-cholanoic acidChemIDplus
(5β)-cholan-24-oic acidChemIDplus
(5β,17β)-γ-methylandrostane-17-butanoic acidChemIDplus
ursocholanic acidChemIDplus
Manual XrefsDatabases
LMST04010441LIPID MAPS
Registry NumbersSources
Beilstein:3214794Beilstein
CAS:546-18-9ChemIDplus