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CHEBI:28033 - 5,6β-epoxy-5β-cholestane

ChEBI IDCHEBI:28033
ChEBI Name5,6β-epoxy-5β-cholestane
Stars
ASCII Name5,6beta-epoxy-5beta-cholestane
DefinitionThe epoxide formed from cholest-5-ene by formal addition of oxygen across the 5,6 double bond with β-configuration at both C-5 and C-6.
Secondary ChEBI IDsCHEBI:2005, CHEBI:20518
Last Modified27 January 2016
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12C[C@H]3O[C@]34CCCC[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKeyOJFSRAVBTAGBIM-NBGJRJMZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
5,6β-epoxy-5β-cholestane (CHEBI:28033) has parent hydride 5β-cholestane (CHEBI:35517)
5,6β-epoxy-5β-cholestane (CHEBI:28033) has role mouse metabolite (CHEBI:75771)
5,6β-epoxy-5β-cholestane (CHEBI:28033) is a epoxide (CHEBI:32955)
IUPAC Name 
(5β,6β)-5,6-epoxycholestane
Manual XrefsDatabases
C05417KEGG COMPOUND
Registry NumbersSources
Reaxys:87816Reaxys