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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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.
View more via ChEBI Ontology
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
Synonyms
Sources
β-Bisabolen
ChEBI
β-bisabolene
UniProt
Manual Xref
Database
HMDB0035992
HMDB
View more database links
Registry Numbers
Types
Sources
2044624
Reaxys Registry Number
Reaxys
2044624
Beilstein Registry Number
Beilstein
Citations
Types
Sources
22164802
PubMed citation
Europe PMC
23678435
PubMed citation
Europe PMC
23833899
PubMed citation
Europe PMC
Last Modified
24 August 2021