User Survey : Help improve ChEBI - please click here to take part in our quick User Survey.

CHEBI:16310 - sulcatone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Save molfile Download Molfile
Formulae C8H14O
C8H14O
Net Charge 0
Average Mass 126.196
Monoisotopic Mass 126.104
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 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.
View more via ChEBI Ontology
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
Synonyms Sources
6-methyl-5-hepten-2-one ChEBI
6-Methyl-5-hepten-2-one KEGG COMPOUND
6-methylhept-5-en-2-one ChEBI
6-Methylhept-5-en-2-one KEGG COMPOUND
Sulcatone KEGG COMPOUND
Database Links Databases
C00011400 KNApSAcK
C07287 KEGG COMPOUND
HMDB35915 HMDB
View more database links
Registry Numbers Types Sources
110-93-0 CAS Registry Number KEGG COMPOUND
110-93-0 CAS Registry Number NIST Chemistry WebBook
110-93-0 CAS Registry Number ChemIDplus
1741705 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23590828 PubMed citation Europe PMC
24627092 PubMed citation Europe PMC
Last Modified
29 July 2016