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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
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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
Type
Source
23374049
PubMed citation
Europe PMC
Last Modified
23 October 2015