CHEBI:29060 - α-pinene oxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-pinene oxide
ChEBI ID CHEBI:29060
ChEBI ASCII Name alpha-pinene oxide
Definition An epoxide of α-pinene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10327, CHEBI:12341, CHEBI:22466
Supplier Information
Download Molfile XML SDF
Formula C10H16O
Net Charge 0
Average Mass 152.23344
Monoisotopic Mass 152.12012
InChI InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChIKey NQFUSWIGRKFAHK-UHFFFAOYSA-N
SMILES CC1(C)C2CC3OC3(C)C1C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane IUPAC
2-pinene oxide ChemIDplus
α-pinene epoxide NIST Chemistry WebBook
α-pinene oxide UniProt
alpha-Pinene-oxide KEGG COMPOUND
Manual Xrefs Databases
ALPHA-PINENE-OXIDE MetaCyc
C02759 KEGG COMPOUND
c0679 UM-BBD
HMDB0003667 HMDB
LMPR0102120007 LIPID MAPS
RU2235712 Patent
View more database links
Registry Numbers Types Sources
1686-14-2 CAS Registry Number ChemIDplus
1686-14-2 CAS Registry Number NIST Chemistry WebBook
1773234 Gmelin Registry Number Gmelin
72936-74-4 CAS Registry Number KEGG COMPOUND
74525-43-2 CAS Registry Number UM-BBD
80360 Reaxys Registry Number Reaxys
80360 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
3667521 PubMed citation Europe PMC
Last Modified
13 November 2017