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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,6β-epoxy-5β-cholestane
ChEBI ID CHEBI:28033
ChEBI ASCII Name 5,6beta-epoxy-5beta-cholestane
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2005, CHEBI:20518
Supplier Information
Download Molfile XML SDF
Formula C27H46O
Net Charge 0
Average Mass 386.65350
Monoisotopic Mass 386.35487
InChI InChI=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
InChIKey OJFSRAVBTAGBIM-NBGJRJMZSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H]4O[C@]44CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
C05417 KEGG COMPOUND
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Registry Number Type Source
87816 Reaxys Registry Number Reaxys
Last Modified
27 January 2016