CHEBI:41131 - crotonic acid

ChEBI IDCHEBI:41131
ChEBI Namecrotonic acid
Stars
DefinitionA but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota.
Secondary ChEBI IDsCHEBI:36250, CHEBI:41125
Last Modified28 July 2014
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-NSCUHMNNSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
crotonic acid (CHEBI:41131) has role plant metabolite (CHEBI:76924)
crotonic acid (CHEBI:41131) is a 2-butenoic acid (CHEBI:17217)
crotonic acid (CHEBI:41131) is conjugate acid of crotonate (CHEBI:35899)
Incoming Relation(s)
(R)-crotonylcarnitine (CHEBI:84898) has functional parent crotonic acid (CHEBI:41131)
crotonoyl-CoA (CHEBI:15473) has functional parent crotonic acid (CHEBI:41131)
tiglic acid (CHEBI:9592) has functional parent crotonic acid (CHEBI:41131)
crotonate (CHEBI:35899) is conjugate base of crotonic acid (CHEBI:41131)
IUPAC Name 
(2E)-but-2-enoic acid
Synonyms  Source
2-butenoic acidChEBI
2-Butenoic acidKEGG COMPOUND
(2E)-2-butenoic acidChEBI
3-methylacrylic acidChEBI
BEOChEBI
Crotonic acidKEGG COMPOUND
Manual XrefsDatabases
BEOPDBeChem
C01771KEGG COMPOUND
CROTONATEMetaCyc
Crotonic_acidWikipedia
HMDB0010720HMDB
LMFA01030195LIPID MAPS
Registry NumbersSources
Beilstein:1719943Beilstein
Reaxys:1719943Reaxys
CAS:107-93-7ChemIDplus
CAS:107-93-7NIST Chemistry WebBook
CAS:3724-65-0KEGG COMPOUND
Citations