CHEBI:50025 - β-pinene

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ChEBI Name β-pinene
ChEBI ID CHEBI:50025
ChEBI ASCII Name beta-pinene
Definition An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10438, CHEBI:22853
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Formula C10H16
Net Charge 0
Average Mass 136.23404
Monoisotopic Mass 136.125
InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey WTARULDDTDQWMU-UHFFFAOYSA-N
SMILES CC1(C)C2CCC(=C)C1C2
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 β-pinene (CHEBI:50025) has role plant metabolite (CHEBI:76924)
β-pinene (CHEBI:50025) is a pinene (CHEBI:17187)
Incoming pinen-10-yl vicianoside (CHEBI:132794) has functional parent β-pinene (CHEBI:50025)
(−)-β-pinene (CHEBI:28359) is a β-pinene (CHEBI:50025)
(+)-β-pinene (CHEBI:50026) is a β-pinene (CHEBI:50025)
IUPAC Names
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
pin-2(10)-ene
Synonyms Sources
2(10)-pinene ChemIDplus
6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane NIST Chemistry WebBook
beta-Pinene KEGG COMPOUND
β-pinene UniProt
nopinene NIST Chemistry WebBook
pseudopinene NIST Chemistry WebBook
Database Links Databases
Beta-pinene Wikipedia
C00000816 KNApSAcK
C09882 KEGG COMPOUND
CPD-3221 MetaCyc
HMDB36560 HMDB
LMPR0102120018 LIPID MAPS
View more database links
Registry Numbers Types Sources
127-91-3 CAS Registry Number KEGG COMPOUND
127-91-3 CAS Registry Number ChemIDplus
127-91-3 CAS Registry Number NIST Chemistry WebBook
1362266 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23472478 PubMed citation Europe PMC
23513734 PubMed citation Europe PMC
23738469 PubMed citation Europe PMC
24555296 PubMed citation Europe PMC
Last Modified
09 March 2017