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CHEBI:86570 - (5α)-cholestan-3β-ol

Default Structure
ChEBI IDCHEBI:86570
ChEBI Name(5α)-cholestan-3β-ol
Stars
ASCII Name(5alpha)-cholestan-3beta-ol
DefinitionA cholestanoid that is (5α)-cholestane substituted by a β-hydroxy group at position 3.
Last Modified8 August 2017
DownloadsMolfile
FormulaC27H48O
Net Charge0
Average Mass388.680
Monoisotopic Mass388.37052
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyQYIXCDOBOSTCEI-QCYZZNICSA-N
ChEBI Ontology
Outgoing Relation(s)
(5α)-cholestan-3β-ol (CHEBI:86570) has parent hydride 5α-cholestane (CHEBI:35515)
(5α)-cholestan-3β-ol (CHEBI:86570) is a 3β-hydroxy steroid (CHEBI:36836)
(5α)-cholestan-3β-ol (CHEBI:86570) is a cholestanoid (CHEBI:50401)
Incoming Relation(s)
(24S)-hydroxycholestanol (CHEBI:137687) has functional parent (5α)-cholestan-3β-ol (CHEBI:86570)
(25R)-26-hydroxycholestanol (CHEBI:137688) has functional parent (5α)-cholestan-3β-ol (CHEBI:86570)
(5α,22S)-22-hydroxycholestan-3β-ol (CHEBI:188465) has functional parent (5α)-cholestan-3β-ol (CHEBI:86570)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) has functional parent (5α)-cholestan-3β-ol (CHEBI:86570)
IUPAC Name 
(5α)-cholestan-3β-ol
Synonyms  Source
(3β,5α)-cholestan-3-olChEBI
5α-cholestanolChemIDplus
cholestanolChemIDplus
dihydrocholesterolChemIDplus
zymostanolChemIDplus
UniProt Name  Source
cholestanolUniProt
Registry NumbersSources
Reaxys:2418594Reaxys
CAS:80-97-7ChemIDplus
CAS:80-97-7NIST Chemistry WebBook