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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:77927 - nonan-2-one
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ChEBI Name
nonan-2-one
ChEBI ID
CHEBI:77927
Definition
A methyl ketone that is nonane 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
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Formula
C9H18O
Net Charge
0
Average Mass
142.23860
Monoisotopic Mass
142.13577
InChI
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N
SMILES
CCCCCCCC(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
2-nonanone
SUBMITTER
β-nonanone
NIST Chemistry WebBook
beta-Nonanone
HMDB
heptyl methyl ketone
SUBMITTER
Methyl heptyl ketone
ChemIDplus
Methyl n-heptyl ketone
NIST Chemistry WebBook
n-C7H15COCH3
NIST Chemistry WebBook
nonan-2-one
UniProt
NONANONE-2
NIST Chemistry WebBook
NSC 14760
ChemIDplus
Manual Xref
Database
HMDB0031266
HMDB
View more database links
Registry Numbers
Types
Sources
1743645
Beilstein Registry Number
ChemIDplus
1743645
Reaxys Registry Number
Reaxys
821-55-6
CAS Registry Number
ChemIDplus
821-55-6
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
23580469
PubMed citation
Europe PMC
24045155
PubMed citation
Europe PMC
24262538
PubMed citation
Europe PMC
24441709
PubMed citation
Europe PMC
24621664
PubMed citation
Europe PMC
IND500714276
Agricola citation
Europe PMC
Last Modified
24 November 2016