(-)-endo-alpha-bergamotene (CHEBI:61679)

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ChEBI Name	*(−)-endo-α-bergamotene*

ChEBI ID	CHEBI:61679

ChEBI ASCII Name	(-)-endo-alpha-bergamotene

Definition	A cis-α-bergamotene that has (S,S,S)-configuration.

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/t13-,14-,15-/m0/s1

InChIKey

YMBFCQPIMVLNIU-KKUMJFAQSA-N

SMILES

CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2

Metabolite of Species	Details
Solanum habrochaites (NCBI:txid62890)	See: PubMed

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. (via cis-alpha-bergamotene ) (via alpha-bergamotene ) volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. (via alpha-bergamotene )

ChEBI Ontology
Outgoing	(−)-endo-α-bergamotene (CHEBI:61679) has role plant metabolite (CHEBI:76924) (−)-endo-α-bergamotene (CHEBI:61679) is a cis-α-bergamotene (CHEBI:176809)

IUPAC Name

(1S,5S,6S)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene

Synonym	Source
(1S,5S,6S)-α-bergamotene	UniProt

Registry Number	Type	Source
5249539	Reaxys Registry Number	Reaxys

Citation	Type	Source
19155349	PubMed citation	Europe PMC

Last Modified

22 September 2021