CHEBI:36740 - α-pinene

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ChEBI Name α-pinene
ChEBI ID CHEBI:36740
ChEBI ASCII Name alpha-pinene
Definition A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10326, CHEBI:22467
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Formula C10H16
Net Charge 0
Average Mass 136.23404
Monoisotopic Mass 136.12520
InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey GRWFGVWFFZKLTI-UHFFFAOYSA-N
SMILES CC1=CCC2CC1C2(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing α-pinene (CHEBI:36740) has role plant metabolite (CHEBI:76924)
α-pinene (CHEBI:36740) is a pinene (CHEBI:17187)
Incoming α-pinene oxide (CHEBI:29060) has parent hydride α-pinene (CHEBI:36740)
(−)-α-pinene (CHEBI:28660) is a α-pinene (CHEBI:36740)
(+)-α-pinene (CHEBI:28261) is a α-pinene (CHEBI:36740)
IUPAC Names
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
pin-2-ene
Synonyms Sources
(±)-2-pinene UM-BBD
(±)-α-pinene UM-BBD
2-pinene ChemIDplus
acintene A NIST Chemistry WebBook
alpha-Pinene KEGG COMPOUND
α-pinene UniProt
pin-2(3)-ene UM-BBD
Manual Xrefs Databases
2017 BPDB
Alpha-pinene MetaCyc
Alpha-Pinene Wikipedia
C00000805 KNApSAcK
c0634 UM-BBD
C09880 KEGG COMPOUND
LMPR0102120017 LIPID MAPS
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Registry Numbers Types Sources
2437-95-8 CAS Registry Number KEGG COMPOUND
3194807 Reaxys Registry Number Reaxys
3194807 Beilstein Registry Number ChemIDplus
80-56-8 CAS Registry Number KEGG COMPOUND
80-56-8 CAS Registry Number NIST Chemistry WebBook
80-56-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11868675 PubMed citation Europe PMC
23513743 PubMed citation Europe PMC
Last Modified
09 March 2017