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> Main
CHEBI:29060 - α-pinene oxide
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ChEBI Ontology
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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
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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[4.1.1.0
2,4
]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
Citation
Type
Source
3667521
PubMed citation
Europe PMC
Last Modified
13 November 2017