citraconic acid (CHEBI:17626)

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ChEBI Name	citraconic acid

ChEBI ID	CHEBI:17626

Definition	A dicarboxylic acid consisting of maleic acid having a methyl substituent at the 2-position.

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

Secondary ChEBI IDs	CHEBI:1207, CHEBI:19703, CHEBI:19704, CHEBI:11623

Supplier Information	eMolecules:980108, ZINC000008681666

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Formula

C5H6O4

Net Charge

Average Mass

130.09870

Monoisotopic Mass

130.02661

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-

InChIKey

HNEGQIOMVPPMNR-IHWYPQMZSA-N

SMILES

C\C(=C\C(O)=O)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):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	citraconic acid (CHEBI:17626) has functional parent maleic acid (CHEBI:18300) citraconic acid (CHEBI:17626) has role human metabolite (CHEBI:77746) citraconic acid (CHEBI:17626) is a dicarboxylic acid (CHEBI:35692) citraconic acid (CHEBI:17626) is a dicarboxylic fatty acid (CHEBI:189840) citraconic acid (CHEBI:17626) is conjugate acid of citraconate(2−) (CHEBI:30719)

Incoming	citraconate(2−) (CHEBI:30719) is conjugate base of citraconic acid (CHEBI:17626)

IUPAC Name

(2Z)-2-methylbut-2-enedioic acid

Last Modified

24 February 2022