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CHEBI:87514 - ethyl 2-hexenoate

ChEBI IDCHEBI:87514
ChEBI Nameethyl 2-hexenoate
Stars
DefinitionA fatty acid ethyl ester of 2-hexenoic acid.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILES[H]C(CCC)=C([H])C(=O)OCC
InChIInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3
InChIKeySJRXWMQZUAOMRJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-hexenoate (CHEBI:87514) has functional parent 2-hexenoic acid (CHEBI:61206)
ethyl 2-hexenoate (CHEBI:87514) has role metabolite (CHEBI:25212)
ethyl 2-hexenoate (CHEBI:87514) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl hex-2-enoate
Registry NumbersSources
Reaxys:1747234Reaxys
CAS:1552-67-6ChemIDplus
Citations