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ChEBI
> Main
CHEBI:87334 - ethyl (2
Z
)-but-2-enoate
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ChEBI Name
ethyl (2
Z
)-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.
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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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ethyl (2
Z
)-but-2-enoate (
CHEBI:87334
)
has functional parent
isocrotonic acid (
CHEBI:36253
)
ethyl (2
Z
)-but-2-enoate (
CHEBI:87334
)
has role
metabolite (
CHEBI:25212
)
ethyl (2
Z
)-but-2-enoate (
CHEBI:87334
)
is a
but-2-enoate ester (
CHEBI:50654
)
IUPAC Name
ethyl (2
Z
)-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