CHEBI:36254 - isocrotonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isocrotonate
ChEBI ID CHEBI:36254
Definition A but-2-enoate having a cis- double bond at C-2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H5O2
Net Charge -1
Average Mass 85.08130
Monoisotopic Mass 85.02950
InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1/b3-2-
InChIKey LDHQCZJRKDOVOX-IHWYPQMZSA-M
SMILES [H]\C(C)=C\C([O-])=O
ChEBI Ontology
Outgoing 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 isocrotonic acid (CHEBI:36253) is conjugate acid of isocrotonate (CHEBI:36254)
IUPAC Name
(2Z)-but-2-enoate
Synonyms Sources
(Z)-2-butenoate ChEBI
(Z)-crotonate ChEBI
cis-2-butenoate ChEBI
cis-crotonate ChEBI
Last Modified
28 January 2011