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CHEBI:62755 - α-bergamotene
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ChEBI Ontology
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ChEBI Name
α-bergamotene
ChEBI ID
CHEBI:62755
ChEBI ASCII Name
alpha-bergamotene
Definition
A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C15H24
Net Charge
0
Average Mass
204.35110
Monoisotopic Mass
204.18780
InChI
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
InChIKey
YMBFCQPIMVLNIU-UHFFFAOYSA-N
SMILES
CC(C)=CCCC1(C)C2CC=C(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.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
α-bergamotene (
CHEBI:62755
)
has role
plant metabolite (
CHEBI:76924
)
α-bergamotene (
CHEBI:62755
)
has role
volatile oil component (
CHEBI:27311
)
α-bergamotene (
CHEBI:62755
)
is a
bridged compound (
CHEBI:35990
)
α-bergamotene (
CHEBI:62755
)
is a
polycyclic olefin (
CHEBI:35714
)
α-bergamotene (
CHEBI:62755
)
is a
sesquiterpene (
CHEBI:35189
)
Incoming
α-bergamotenoic acid (
CHEBI:131505
)
has functional parent
α-bergamotene (
CHEBI:62755
)
(−)-
exo
-α-bergamotene (
CHEBI:62756
)
is a
α-bergamotene (
CHEBI:62755
)
cis
-α-bergamotene (
CHEBI:176809
)
is a
α-bergamotene (
CHEBI:62755
)
IUPAC Name
2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
Manual Xrefs
Databases
C00048311
KNApSAcK
C17088
KEGG COMPOUND
HMDB0036678
HMDB
View more database links
Registry Number
Type
Source
17699-05-7
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
12562082
PubMed citation
Europe PMC
22474938
PubMed citation
Europe PMC
23786100
PubMed citation
Europe PMC
Last Modified
22 September 2021