CHEBI:77928 - tridecan-2-one

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ChEBI Name tridecan-2-one
ChEBI ID CHEBI:77928
Definition A methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Trudy
Supplier Information
Download Molfile XML SDF
Formula C13H26O
Net Charge 0
Average Mass 198.34490
Monoisotopic Mass 198.19837
InChI InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey CYIFVRUOHKNECG-UHFFFAOYSA-N
SMILES CCCCCCCCCCCC(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.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tridecan-2-one (CHEBI:77928) has parent hydride tridecane (CHEBI:35998)
tridecan-2-one (CHEBI:77928) has role flavouring agent (CHEBI:35617)
tridecan-2-one (CHEBI:77928) has role plant metabolite (CHEBI:76924)
tridecan-2-one (CHEBI:77928) is a methyl ketone (CHEBI:51867)
IUPAC Name
tridecan-2-one
Synonyms Sources
2-Tridecanone ChEBI
Hendecyl methyl ketone HMDB
Methyl n-undecyl ketone NIST Chemistry WebBook
methyl undecyl ketone SUBMITTER
NSC 14763 ChEBI
tridecanone SUBMITTER
Tridecanone-2 NIST Chemistry WebBook
Manual Xrefs Databases
2981 BPDB
CPD-7901 MetaCyc
HMDB0034148 HMDB
WO2012018250 Patent
View more database links
Registry Numbers Types Sources
1757402 Reaxys Registry Number Reaxys
593-08-8 CAS Registry Number NIST Chemistry WebBook
593-08-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
23374049 PubMed citation Europe PMC
Last Modified
23 October 2015