alpha-bergamotene (CHEBI:62755)

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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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

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.

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

Registry Number	Type	Source
17699-05-7	CAS Registry Number	KEGG COMPOUND

Last Modified

22 September 2021