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CHEBI:36237 - cholanic acid

ChEBI IDCHEBI:36237
ChEBI Namecholanic acid
Stars
DefinitionA steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24.
Last Modified29 September 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC24H40O2
Net Charge0
Average Mass360.582
Monoisotopic Mass360.30283
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
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-KBMWBBLPSA-N
ChEBI Ontology
Outgoing Relation(s)
cholanic acid (CHEBI:36237) is a cholanic acids (CHEBI:36278)
Incoming Relation(s)
5α-cholanic acid (CHEBI:36239) is a cholanic acid (CHEBI:36237)
5β-cholanic acid (CHEBI:36238) is a cholanic acid (CHEBI:36237)
IUPAC Name 
cholan-24-oic acid
Manual XrefsDatabases
JP2008069152Patent
Registry NumbersSources
Reaxys:13246008Reaxys
CAS:25312-65-6ChemIDplus