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CHEBI:36254 - isocrotonate

ChEBI IDCHEBI:36254
ChEBI Nameisocrotonate
Stars
DefinitionA but-2-enoate having a cis- double bond at C-2.
Last Modified28 January 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H5O2
Net Charge-1
Average Mass85.082
Monoisotopic Mass85.02950
SMILES[H]/C(C)=C/C(=O)[O-]
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1/b3-2-
InChIKeyLDHQCZJRKDOVOX-IHWYPQMZSA-M
ChEBI Ontology
Outgoing Relation(s)
isocrotonate (CHEBI:36254) is a but-2-enoate (CHEBI:36258)
isocrotonate (CHEBI:36254) is a short-chain fatty acid anion (CHEBI:58951)
isocrotonate (CHEBI:36254) is a unsaturated fatty acid anion (CHEBI:2580)
isocrotonate (CHEBI:36254) is conjugate base of isocrotonic acid (CHEBI:36253)
Incoming Relation(s)
isocrotonic acid (CHEBI:36253) is conjugate acid of isocrotonate (CHEBI:36254)
IUPAC Name 
(2Z)-but-2-enoate
Synonyms  Source
(Z)-2-butenoateChEBI
cis-2-butenoateChEBI
(Z)-crotonateChEBI
cis-crotonateChEBI