CHEBI:87560 - ethyl 3-hexenoate

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ChEBI Name ethyl 3-hexenoate
ChEBI ID CHEBI:87560
Definition A fatty acid ethyl ester of 3-hexenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H14O2
Net Charge 0
Average Mass 142.19560
Monoisotopic Mass 142.09938
InChI InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3
InChIKey VTSFIPHRNAESED-UHFFFAOYSA-N
SMILES CCOC(=O)CC=CCC
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 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 Numbers Types Sources
1751577 Reaxys Registry Number Reaxys
2396-83-0 CAS Registry Number NIST Chemistry WebBook
2396-83-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
IND22025686 Agricola citation Europe PMC
Last Modified
19 August 2015