Chemical Component Summary

Name(~{Z})-2-methylbut-2-enedioic acid
SynonymsCITRACONATE
Identifiers(Z)-2-methylbut-2-enedioic acid
FormulaC5 H6 O4
Molecular Weight130.099
TypeNON-POLYMER
Isomeric SMILESC/C(=C/C(=O)O)/C(=O)O
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKeyHNEGQIOMVPPMNR-IHWYPQMZSA-N

Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count14
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04734 
NameCitraconic acid
Groups experimental
DescriptionCitraconic acid is one of the isomeric dicarboxylic acids produced by the distillation of citric acid, or as metabolites by microorganisms, cis-CH3-C(CO2H)=CHCO2H; the trans-isomer is mesaconic acid.
Synonyms
  • Citraconsäure
  • 2-methylmaleic acid
  • 2-Methyl-2-butenedioic acid
  • cis-2-methylbutenedioic acid
  • cis-Methylbutenedioic acid
Categories
  • Acids, Acyclic
  • Dermatologicals
  • Dicarboxylic Acids
CAS number498-23-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Fumarate reductase flavoprotein subunitADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLEEVAETT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 643798
ChEBI CHEBI:17626
CCDC/CSD WOQBIN, AMUCAO, NEDNOZ01, ZOTJIE, NEDNOZ
COD 2007015