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CHEBI:36239 - 5α-cholanic acid

ChEBI IDCHEBI:36239
ChEBI Name5α-cholanic acid
Stars
ASCII Name5alpha-cholanic acid
DefinitionA cholanic acid having 5α-configuration.
Last Modified29 September 2011
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-NIRKWIOJSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-cholanic acid (CHEBI:36239) is a 5α-cholanic acids (CHEBI:36246)
5α-cholanic acid (CHEBI:36239) is a cholanic acid (CHEBI:36237)
IUPAC Name 
5α-cholan-24-oic acid
Synonym  Source
allocholanic acidChEBI
Manual XrefsDatabases
LMST04010002LIPID MAPS
Registry NumbersSources
Reaxys:3214793Reaxys