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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16310 - sulcatone
Main
ChEBI Ontology
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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
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Formulae
C8H14O
C8H14O
Net Charge
0
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.
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
sulcatone
UniProt
Manual Xrefs
Databases
C00011400
KNApSAcK
C07287
KEGG COMPOUND
HMDB0035915
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
Types
Sources
23590828
PubMed citation
Europe PMC
24627092
PubMed citation
Europe PMC
Last Modified
04 September 2017