CHEBI:87309 - 3-decanone

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ChEBI Name 3-decanone
ChEBI ID CHEBI:87309
Definition A ketone that is decane in which the methylene hydrogens at position 3 are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H20O
Net Charge 0
Average Mass 156.26520
Monoisotopic Mass 156.15142
InChI InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
InChIKey XJLDYKIEURAVBW-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)CC
Roles Classification
Biological Role(s): food additive
Any substance which is added to food to preserve or enhance its flavour and/or appearance.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): food additive
Any substance which is added to food to preserve or enhance its flavour and/or appearance.
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ChEBI Ontology
Outgoing 3-decanone (CHEBI:87309) has parent hydride decane (CHEBI:41808)
3-decanone (CHEBI:87309) has role food additive (CHEBI:64047)
3-decanone (CHEBI:87309) has role metabolite (CHEBI:25212)
3-decanone (CHEBI:87309) is a ketone (CHEBI:17087)
IUPAC Name
decan-3-one
Manual Xref Database
HMDB0032212 HMDB
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Registry Numbers Types Sources
1748021 Reaxys Registry Number Reaxys
928-80-3 CAS Registry Number ChemIDplus
Last Modified
02 September 2015