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CHEBI:36253 - isocrotonic acid

ChEBI IDCHEBI:36253
ChEBI Nameisocrotonic acid
Stars
DefinitionA but-2-enoic acid having a cis- double bond at C-2.
Last Modified5 August 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H6O2
Net Charge0
Average Mass86.090
Monoisotopic Mass86.03678
SMILES[H]/C(C)=C/C(=O)O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
InChIKeyLDHQCZJRKDOVOX-IHWYPQMZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
isocrotonic acid (CHEBI:36253) is a 2-butenoic acid (CHEBI:17217)
isocrotonic acid (CHEBI:36253) is conjugate acid of isocrotonate (CHEBI:36254)
Incoming Relation(s)
angelic acid (CHEBI:36431) has functional parent isocrotonic acid (CHEBI:36253)
ethyl (2Z)-but-2-enoate (CHEBI:87334) has functional parent isocrotonic acid (CHEBI:36253)
heliosupine (CHEBI:5641) has functional parent isocrotonic acid (CHEBI:36253)
isocrotonate (CHEBI:36254) is conjugate base of isocrotonic acid (CHEBI:36253)
IUPAC Name 
(2Z)-but-2-enoic acid
Synonyms  Source
cis-Crotonic AcidNIST Chemistry WebBook
cis-2-Butenoic AcidNIST Chemistry WebBook
(Z)-Crotonic acidNIST Chemistry WebBook
(Z)-2-Butenoic acidNIST Chemistry WebBook
perisocrotonic acidChEBI
(Z)-but-2-enoic acidChEBI
Manual XrefsDatabases
LMFA01030194LIPID MAPS
Registry NumbersSources
Reaxys:1719942Reaxys
CAS:503-64-0ChemIDplus
CAS:503-64-0NIST Chemistry WebBook