CHEBI:17626 - citraconic acid

Main ChEBI Ontology Automatic Xrefs
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
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formulae C5H6O4
C5H6O4
Net Charge 0
Average Mass 130.09870
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).
View more via ChEBI Ontology
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 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
Synonyms Sources
(Z)-2-Methyl-2-butenedioic acid ChemIDplus
2-Methyl-2-butenedioic acid NIST Chemistry WebBook
2-methylmaleic acid ChEBI
α-methylmaleic acid ChEBI
cis-2-methylbutenedioic acid ChEBI
cis-Methylbutenedioic acid ChemIDplus
Citraconic acid ChemIDplus
Citraconic acid KEGG COMPOUND
Citraconsäure ChemIDplus
Methyl-maleinsäure ChemIDplus
Methylmaleic acid KEGG COMPOUND
Database Links Databases
2-METHYLMALEATE MetaCyc
C02226 KEGG COMPOUND
Citraconic_acid Wikipedia
DB04734 DrugBank
HMDB00634 HMDB
View more database links
Registry Numbers Types Sources
1722679 Reaxys Registry Number Reaxys
498-23-7 CAS Registry Number NIST Chemistry WebBook
498-23-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
101016 PubMed citation CiteXplore
18852880 PubMed citation CiteXplore
955226 PubMed citation CiteXplore
Last Modified
27 January 2014