CHEBI:87560 - ethyl 3-hexenoate

ChEBI IDCHEBI:87560
ChEBI Nameethyl 3-hexenoate
Stars
DefinitionA fatty acid ethyl ester of 3-hexenoic acid.
Last Modified19 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILES[H]C(=CCC(=O)OCC)CC
InChIInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyVTSFIPHRNAESED-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 3-hexenoate (CHEBI:87560) has functional parent 3-hexenoic acid (CHEBI:49283)
ethyl 3-hexenoate (CHEBI:87560) has role metabolite (CHEBI:25212)
ethyl 3-hexenoate (CHEBI:87560) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl hex-3-enoate
Registry NumbersSources
Reaxys:1751577Reaxys
CAS:2396-83-0ChemIDplus
CAS:2396-83-0NIST Chemistry WebBook
Citations