sulcatone (CHEBI:16310)

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ChEBI Name	sulcatone

ChEBI ID	CHEBI:16310

Definition	A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.

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

Secondary ChEBI IDs	CHEBI:9324, CHEBI:15134, CHEBI:26818

Supplier Information

Download	Molfile XML SDF

Formulae

C8H14O
C8H14O

Net Charge

Average Mass

126.196

Monoisotopic Mass

126.10447

InChI

InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

InChIKey

UHEPJGULSIKKTP-UHFFFAOYSA-N

SMILES

CC(=CCCC(=O)C)C

Roles Classification
Biological Role(s):	alarm pheromone A pheromone which is released by an organism when damaged by a predator which warns other individuals that there is a danger. 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	sulcatone (CHEBI:16310) has role alarm pheromone (CHEBI:72575) sulcatone (CHEBI:16310) has role plant metabolite (CHEBI:76924) sulcatone (CHEBI:16310) has role volatile oil component (CHEBI:27311) sulcatone (CHEBI:16310) is a heptenone (CHEBI:24523) sulcatone (CHEBI:16310) is a methyl ketone (CHEBI:51867)

IUPAC Name

6-methylhept-5-en-2-one

Last Modified

04 September 2017