CHEBI:49249 - β-bisabolene

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ChEBI Name β-bisabolene
ChEBI ID CHEBI:49249
ChEBI ASCII Name beta-bisabolene
Definition A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
InChIKey XZRVRYFILCSYSP-UHFFFAOYSA-N
SMILES CC(C)=CCCC(=C)C1CCC(C)=CC1
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-bisabolene (CHEBI:49249) has role plant metabolite (CHEBI:76924)
β-bisabolene (CHEBI:49249) is a bisabolene (CHEBI:49235)
Incoming (R)-β-bisabolene (CHEBI:49266) is a β-bisabolene (CHEBI:49249)
(S)-β-bisabolene (CHEBI:49263) is a β-bisabolene (CHEBI:49249)
IUPAC Names
1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene
bisabola-4,7(11),10(15)-triene
Synonym Source
β-Bisabolen ChEBI
Manual Xref Database
HMDB0035992 HMDB
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Registry Numbers Types Sources
2044624 Reaxys Registry Number Reaxys
2044624 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
22164802 PubMed citation Europe PMC
23678435 PubMed citation Europe PMC
23833899 PubMed citation Europe PMC
Last Modified
17 March 2014