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CHEBI:31542 - epidihydrocholesterin

ChEBI IDCHEBI:31542
ChEBI Nameepidihydrocholesterin
Stars
DefinitionA 5α-chloestane compound having a 3α-hydroxy substituent.
Last Modified28 August 2014
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-FBVYSKEZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10901139)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
epidihydrocholesterin (CHEBI:31542) has role human metabolite (CHEBI:77746)
epidihydrocholesterin (CHEBI:31542) is a 3α-sterol (CHEBI:35347)
epidihydrocholesterin (CHEBI:31542) is a 5α-cholestane (CHEBI:35515)
IUPAC Name 
5α-cholestan-3α-ol
Synonyms  Source
(3-alpha,5-alpha)-Cholestan-3-olChemIDplus
3alpha-Hydroxy-5alpha-cholestaneChemIDplus
5alpha-Cholestan-3alpha-olChemIDplus
epi-CholestanolChemIDplus
EpicholestanolKEGG COMPOUND
EpidehydrocholesterinNIST Chemistry WebBook
Manual XrefsDatabases
C12978KEGG COMPOUND
D01527KEGG DRUG
HMDB0000908HMDB
LMST01010098LIPID MAPS
Registry NumbersSources
Reaxys:2055666Reaxys
CAS:516-95-0KEGG COMPOUND
CAS:516-95-0NIST Chemistry WebBook
CAS:516-95-0KEGG DRUG
CAS:516-95-0ChemIDplus
Citations