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

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CHEBI:17700 - undecan-2-one

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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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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

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