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CHEBI:87299 - ethyl 5-hexenoate

Default Structure
ChEBI IDCHEBI:87299
ChEBI Nameethyl 5-hexenoate
Stars
DefinitionThe fatty acid ethyl ester of 5-hexenoic acid.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESC=CCCCC(=O)OCC
InChIInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3
InChIKeyRJLJOXJZWMGEFD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
ethyl 5-hexenoate (CHEBI:87299) has role flavouring agent (CHEBI:35617)
ethyl 5-hexenoate (CHEBI:87299) has role metabolite (CHEBI:25212)
ethyl 5-hexenoate (CHEBI:87299) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl hex-5-enoate
Synonym  Source
5-(ethoxycarbonyl)-1-penteneChEBI
Manual XrefsDatabases
WO0113742Patent
Registry NumbersSources
Reaxys:1750177Reaxys
Citations