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CHEBI:87309 - 3-decanone

ChEBI IDCHEBI:87309
ChEBI Name3-decanone
Stars
DefinitionA ketone that is decane in which the methylene hydrogens at position 3 are replaced by an oxo group.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILESCCCCCCCC(=O)CC
InChIInChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
InChIKeyXJLDYKIEURAVBW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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:
food additive  Any substance which is added to food to preserve or enhance its flavour and/or appearance.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0032212HMDB
Registry NumbersSources
Reaxys:1748021Reaxys
CAS:928-80-3ChemIDplus