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CHEBI:62755 - α-bergamotene

ChEBI IDCHEBI:62755
ChEBI Nameα-bergamotene
Stars
ASCII Namealpha-bergamotene
DefinitionA 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.
Last Modified22 September 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC(C)=CCCC1(C)C2CC=C(C)C1C2
InChIInChI=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
InChIKeyYMBFCQPIMVLNIU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
C17088KEGG COMPOUND
C00048311KNApSAcK
HMDB0036678HMDB
Registry NumbersSources
CAS:17699-05-7KEGG COMPOUND
Citations