CHEBI:29060 - α-pinene oxide

ChEBI IDCHEBI:29060
ChEBI Nameα-pinene oxide
Stars
ASCII Namealpha-pinene oxide
DefinitionAn epoxide of α-pinene.
Secondary ChEBI IDsCHEBI:10327, CHEBI:12341, CHEBI:22466
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1(C)C2CC3OC3(C)C1C2
InChIInChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChIKeyNQFUSWIGRKFAHK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
α-pinene oxide (CHEBI:29060) has parent hydride α-pinene (CHEBI:36740)
α-pinene oxide (CHEBI:29060) has role bacterial xenobiotic metabolite (CHEBI:76976)
α-pinene oxide (CHEBI:29060) has role fragrance (CHEBI:48318)
α-pinene oxide (CHEBI:29060) has role human metabolite (CHEBI:77746)
α-pinene oxide (CHEBI:29060) is a epoxide (CHEBI:32955)
α-pinene oxide (CHEBI:29060) is a pinane monoterpenoid (CHEBI:26133)
IUPAC Name 
2,3-epoxypinane
Synonyms  Source
2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octaneIUPAC
2-pinene oxideChemIDplus
alpha-Pinene-oxideKEGG COMPOUND
α-pinene epoxideNIST Chemistry WebBook
UniProt Name  Source
α-pinene oxideUniProt
Manual XrefsDatabases
ALPHA-PINENE-OXIDEMetaCyc
C02759KEGG COMPOUND
C02759KEGG COMPOUND
c0679UM-BBD
HMDB0003667HMDB
LMPR0102120007LIPID MAPS
RU2235712Patent
Registry NumbersSources
Gmelin:1773234Gmelin
Reaxys:80360Reaxys
CAS:1686-14-2ChemIDplus
CAS:1686-14-2NIST Chemistry WebBook
CAS:72936-74-4KEGG COMPOUND
CAS:74525-43-2UM-BBD
Citations