alpha-bergamotenoic acid (CHEBI:131505)

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ChEBI Name	α-bergamotenoic acid

ChEBI ID	CHEBI:131505

ChEBI ASCII Name	alpha-bergamotenoic acid

Definition	A sesquiterpenoid that is α-bergamotene in which one of the methyl groups attached to the exocyclic C=C double bond has been oxidised to form the corresponding carboxylic acid.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.335

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5-

InChIKey

CTORLPNPQPAKGI-WZUFQYTHSA-N

SMILES

C1=C(C2C(C(C1)C2)(C)CC/C=C(\C(O)=O)/C)C

Metabolite of Species	Details
Solanum lycopersicum (NCBI:txid4081)	See: MetaboLights Study
Solanum habrochaites (NCBI:txid62890)	See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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.

Application(s):	insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.

ChEBI Ontology
Outgoing	α-bergamotenoic acid (CHEBI:131505) has functional parent α-bergamotene (CHEBI:62755) α-bergamotenoic acid (CHEBI:131505) has role insecticide (CHEBI:24852) α-bergamotenoic acid (CHEBI:131505) has role plant metabolite (CHEBI:76924) α-bergamotenoic acid (CHEBI:131505) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) α-bergamotenoic acid (CHEBI:131505) is a bridged compound (CHEBI:35990) α-bergamotenoic acid (CHEBI:131505) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

(2Z)-5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methylpent-2-enoic acid

Synonym	Source
(Z)-α-bergamotenoic acid	HMDB

Registry Number	Type	Source
124439-27-6	CAS Registry Number	HMDB

Last Modified

15 November 2016