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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17700 - undecan-2-one
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ChEBI Ontology
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ChEBI Name
undecan-2-one
ChEBI ID
CHEBI:17700
Definition
A dialkyl ketone with methyl and nonyl as the two alkyl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11658, CHEBI:1280, CHEBI:19792
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Formula
C11H22O
Net Charge
0
Average Mass
170.29178
Monoisotopic Mass
170.16707
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKey
KYWIYKKSMDLRDC-UHFFFAOYSA-N
SMILES
CCCCCCCCCC(C)=O
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.
Application
(s):
rodenticide
A substance used to destroy rodent pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
undecan-2-one (
CHEBI:17700
)
has role
plant metabolite (
CHEBI:76924
)
undecan-2-one (
CHEBI:17700
)
has role
rodenticide (
CHEBI:33288
)
undecan-2-one (
CHEBI:17700
)
is a
dialkyl ketone (
CHEBI:18044
)
undecan-2-one (
CHEBI:17700
)
is a
methyl ketone (
CHEBI:51867
)
IUPAC Name
undecan-2-one
Synonyms
Sources
2-hendecanone
ChEBI
2-Hendecanone
KEGG COMPOUND
2-Undecanone
KEGG COMPOUND
2-undecanone
UniProt
Methyl nonyl ketone
KEGG COMPOUND
rue ketone
HMDB
Undecan-2-one
KEGG COMPOUND
Manual Xrefs
Databases
1397
PPDB
2-Undecanone
Wikipedia
2-UNDECANONE
MetaCyc
C00030758
KNApSAcK
C01875
KEGG COMPOUND
DB08688
DrugBank
HMDB0033713
HMDB
LMFA12000002
LIPID MAPS
UOC
PDBeChem
View more database links
Registry Numbers
Types
Sources
112-12-9
CAS Registry Number
KEGG COMPOUND
112-12-9
CAS Registry Number
NIST Chemistry WebBook
112-12-9
CAS Registry Number
ChemIDplus
1749573
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17453350
PubMed citation
Europe PMC
20931852
PubMed citation
Europe PMC
21366058
PubMed citation
Europe PMC
21738794
PubMed citation
Europe PMC
23292923
PubMed citation
Europe PMC
Last Modified
13 November 2017