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CHEBI:77927 - nonan-2-one

ChEBI IDCHEBI:77927
ChEBI Namenonan-2-one
Stars
DefinitionA methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group.
Last Modified24 November 2016
SubmitterTrudy
DownloadsMolfile
FormulaC9H18O
Net Charge0
Average Mass142.242
Monoisotopic Mass142.13577
SMILESCCCCCCCC(C)=O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKeyVKCYHJWLYTUGCC-UHFFFAOYSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
nonan-2-one (CHEBI:77927) has parent hydride nonane (CHEBI:32892)
nonan-2-one (CHEBI:77927) has role plant metabolite (CHEBI:76924)
nonan-2-one (CHEBI:77927) is a methyl ketone (CHEBI:51867)
IUPAC Name 
nonan-2-one
Synonyms  Source
2-nonanoneSUBMITTER
heptyl methyl ketoneSUBMITTER
beta-NonanoneHMDB
Methyl heptyl ketoneChemIDplus
NSC 14760ChemIDplus
Methyl n-heptyl ketoneNIST Chemistry WebBook
UniProt Name  Source
nonan-2-oneUniProt
Manual XrefsDatabases
HMDB0031266HMDB
Registry NumbersSources
Reaxys:1743645Reaxys
CAS:821-55-6ChemIDplus
CAS:821-55-6NIST Chemistry WebBook
Citations