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CHEBI:87309 - 3-decanone

Default Structure
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
Chemical Role:
food additive  Any substance which is added to food to preserve or enhance its flavour and/or appearance.
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
food additive  Any substance which is added to food to preserve or enhance its flavour and/or appearance.
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