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CHEBI:17700 - undecan-2-one

ChEBI IDCHEBI:17700
ChEBI Nameundecan-2-one
Stars
DefinitionA dialkyl ketone with methyl and nonyl as the two alkyl groups.
Secondary ChEBI IDsCHEBI:1280, CHEBI:11658, CHEBI:19792
Last Modified13 November 2017
DownloadsMolfile
FormulaC11H22O
Net Charge0
Average Mass170.296
Monoisotopic Mass170.16707
SMILESCCCCCCCCCC(C)=O
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKeyKYWIYKKSMDLRDC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
rodenticide  A substance used to destroy rodent pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-UndecanoneKEGG COMPOUND
Methyl nonyl ketoneKEGG COMPOUND
2-HendecanoneKEGG COMPOUND
2-hendecanoneChEBI
rue ketoneHMDB
Undecan-2-oneKEGG COMPOUND
UniProt Name  Source
2-undecanoneUniProt
Manual XrefsDatabases
C01875KEGG COMPOUND
C01875KEGG COMPOUND
LMFA12000002LIPID MAPS
DB08688DrugBank
2-UNDECANONEMetaCyc
2-UndecanoneWikipedia
HMDB0033713HMDB
UOCPDBeChem
C00030758KNApSAcK
1397PPDB
Registry NumbersSources
Reaxys:1749573Reaxys
CAS:112-12-9KEGG COMPOUND
CAS:112-12-9NIST Chemistry WebBook
CAS:112-12-9ChemIDplus
Citations