CHEBI:77929 - decan-2-one

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ChEBI Name decan-2-one
ChEBI ID CHEBI:77929
Definition A methyl ketone that is decane 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 C10H20O
Net Charge 0
Average Mass 156.26520
Monoisotopic Mass 156.15142
InChI InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKey ZAJNGDIORYACQU-UHFFFAOYSA-N
SMILES CCCCCCCCC(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.
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ChEBI Ontology
Outgoing decan-2-one (CHEBI:77929) has parent hydride decane (CHEBI:41808)
decan-2-one (CHEBI:77929) has role plant metabolite (CHEBI:76924)
decan-2-one (CHEBI:77929) is a methyl ketone (CHEBI:51867)
IUPAC Name
decan-2-one
Synonyms Sources
2-Decanone ChEBI
Methyl n-octyl ketone ChEBI
Methyl octyl ketone ChEBI
n-C8H17COCH3 NIST Chemistry WebBook
Octyl methyl ketone ChEBI
Manual Xref Database
HMDB0031409 HMDB
View more database links
Registry Numbers Types Sources
1747463 Reaxys Registry Number Reaxys
1747463 Beilstein Registry Number ChemIDplus
693-54-9 CAS Registry Number NIST Chemistry WebBook
693-54-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23543864 PubMed citation Europe PMC
9378091 PubMed citation Europe PMC
Last Modified
23 October 2015