CHEBI:87334 - ethyl (2Z)-but-2-enoate

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ChEBI Name ethyl (2Z)-but-2-enoate
ChEBI ID CHEBI:87334
ChEBI ASCII Name ethyl (2Z)-but-2-enoate
Definition A but-2-enoate ester obtained by the formal condensation of isocrotonic acid with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O2
Net Charge 0
Average Mass 114.14240
Monoisotopic Mass 114.06808
InChI InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
InChIKey ZFDIRQKJPRINOQ-HYXAFXHYSA-N
SMILES CCOC(=O)\C=C/C
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 (2Z)-but-2-enoate (CHEBI:87334) has functional parent isocrotonic acid (CHEBI:36253)
ethyl (2Z)-but-2-enoate (CHEBI:87334) has role metabolite (CHEBI:25212)
ethyl (2Z)-but-2-enoate (CHEBI:87334) is a but-2-enoate ester (CHEBI:50654)
IUPAC Name
ethyl (2Z)-but-2-enoate
Synonym Source
cis-ethyl crotonate ChEBI
Registry Numbers Types Sources
1720419 Reaxys Registry Number Reaxys
6776-19-8 CAS Registry Number ChemIDplus
Last Modified
02 September 2015