CHEBI:17700 - Undecan-2-one - EMBL-EBI

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CHEBI:17700 - undecan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Waiting for 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

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