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CHEBI:87688 - ethyl 2-heptenoate

ChEBI IDCHEBI:87688
ChEBI Nameethyl 2-heptenoate
Stars
DefinitionThe fatty acid ethyl ester of 2-heptenoic acid.
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILES[H]C(=CC(=O)OCC)CCCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3
InChIKeyCYLQPOIZDBIXFP-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-heptenoate (CHEBI:87688) has functional parent 2-heptenoic acid (CHEBI:36152)
ethyl 2-heptenoate (CHEBI:87688) has role metabolite (CHEBI:25212)
ethyl 2-heptenoate (CHEBI:87688) is a fatty acid ethyl ester (CHEBI:78206)
IUPAC Name 
ethyl hept-2-enoate
Registry NumbersSources
Reaxys:1752579Reaxys