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
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Registry Numbers Types Sources
1747463 Reaxys Registry Number Reaxys
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