CHEBI:86570 - (5α)-cholestan-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5α)-cholestan-3β-ol
ChEBI ID CHEBI:86570
ChEBI ASCII Name (5alpha)-cholestan-3beta-ol
Definition A cholestanoid that is (5α)-cholestane substituted by a β-hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9262856, eMolecules:493270, eMolecules:30316117, eMolecules:8294213, eMolecules:29549822, ZINC000004262223
Download Molfile XML SDF
Formula C27H48O
Net Charge 0
Average Mass 388.66940
Monoisotopic Mass 388.37052
InChI InChI=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
InChIKey QYIXCDOBOSTCEI-QCYZZNICSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing (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 (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 Sources
(3β,5α)-cholestan-3-ol ChEBI
5α-cholestanol ChemIDplus
cholestanol ChemIDplus
cholestanol UniProt
dihydrocholesterol ChemIDplus
zymostanol ChemIDplus
Registry Numbers Types Sources
2418594 Reaxys Registry Number Reaxys
80-97-7 CAS Registry Number ChemIDplus
80-97-7 CAS Registry Number NIST Chemistry WebBook
Last Modified
08 August 2017