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CHEBI:16608 - 5α-cholest-8-en-3β-ol

ChEBI IDCHEBI:16608
ChEBI Name5α-cholest-8-en-3β-ol
Stars
ASCII Name5alpha-cholest-8-en-3beta-ol
DefinitionA cholestanoid that is 5α-cholestane substituted by a β-hydroxy group at position 3.
Secondary ChEBI IDsCHEBI:2139, CHEBI:12170, CHEBI:20645
Last Modified19 October 2017
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12CCC3=C(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/C27H46O/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/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
InChIKeyQETLKNDKQOXZRP-XTGBIJOFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5α-cholest-8-en-3β-ol (CHEBI:16608) has parent hydride 5α-cholestane (CHEBI:35515)
5α-cholest-8-en-3β-ol (CHEBI:16608) has role human metabolite (CHEBI:77746)
5α-cholest-8-en-3β-ol (CHEBI:16608) has role mouse metabolite (CHEBI:75771)
5α-cholest-8-en-3β-ol (CHEBI:16608) is a 3β-sterol (CHEBI:35348)
5α-cholest-8-en-3β-ol (CHEBI:16608) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(5α)-cholest-8-en-3β-ol
Synonyms  Source
5alpha-cholest-8-en-3beta-olChEBI
5alpha-Cholest-8-en-3beta-olKEGG COMPOUND
5α-cholest-8-en-3β-olChEBI
CholestenolKEGG COMPOUND
ZymostenolKEGG COMPOUND
UniProt Name  Source
5α-cholest-8-en-3β-olUniProt
Manual XrefsDatabases
C03845KEGG COMPOUND
CPD-8621MetaCyc
HMDB0006841HMDB
LMST01010096LIPID MAPS
Registry NumbersSources
Reaxys:2337227Reaxys
CAS:566-97-2KEGG COMPOUND
CAS:566-97-2ChemIDplus
Citations