crotonic acid (CHEBI:41131)

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ChEBI Name	crotonic acid

ChEBI ID	CHEBI:41131

Definition	A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:36250, CHEBI:41125

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Formula

C4H6O2

Net Charge

Average Mass

86.08924

Monoisotopic Mass

86.03678

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChIKey

LDHQCZJRKDOVOX-NSCUHMNNSA-N

SMILES

[H]\C(C)=C/C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	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	(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

Last Modified

28 July 2014

General Comment
2011-03-29	Used in organic synthesis, and shown to have strong herbicidal properties.