CHEBI:87688 - ethyl 2-heptenoate

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ChEBI Name ethyl 2-heptenoate
ChEBI ID CHEBI:87688
Definition The fatty acid ethyl ester of 2-heptenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H16O2
Net Charge 0
Average Mass 156.222
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3
InChIKey CYLQPOIZDBIXFP-UHFFFAOYSA-N
SMILES CCCCC(=CC(OCC)=O)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
1752579 Reaxys Registry Number Reaxys
Last Modified
27 August 2015