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

ChEBI IDCHEBI:87334
ChEBI Nameethyl (2Z)-but-2-enoate
Stars
ASCII Nameethyl (2Z)-but-2-enoate
DefinitionA but-2-enoate ester obtained by the formal condensation of isocrotonic acid with ethanol.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILES[H]/C(C)=C/C(=O)OCC
InChIInChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
InChIKeyZFDIRQKJPRINOQ-HYXAFXHYSA-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 (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 crotonateChEBI
Registry NumbersSources
Reaxys:1720419Reaxys
CAS:6776-19-8ChemIDplus