CIZ

(~{Z})-2-methylbut-2-enedioic acid

Created:	2016-07-18
Last modified:	2021-03-01

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1 entries where CIZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

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Chemical Component Summary
Name	(~{Z})-2-methylbut-2-enedioic acid
Synonyms	CITRACONATE
Systematic Name (OpenEye OEToolkits)	(Z)-2-methylbut-2-enedioic acid
Formula	C₅ H₆ O₄
Molecular Weight	130.099
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(C)=[C@H]C(O)=O
SMILES	CACTVS	3.385	CC(=CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=C/C(O)=O)/C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C(=C/C(=O)O)/C(=O)O
InChI	InChI	1.03	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKey	InChI	1.03	HNEGQIOMVPPMNR-IHWYPQMZSA-N

Drug Info: DrugBank

DrugBank ID	DB04734
Name	Citraconic acid
Groups	experimental
Description	Citraconic 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	Methyl-maleinsäure 2-Methyl-2-butenedioic acid 2-methylmaleic acid Methylmaleic acid cis-2-methylbutenedioic acid (Z)-2-Methyl-2-butenedioic acid α-methylmaleic acid citraconate Citraconic acid Citraconsäure cis-Methylbutenedioic acid
Categories	Acids, Acyclic Dermatologicals Dicarboxylic Acids
CAS number	498-23-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Fumarate reductase flavoprotein subunit	ADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLEEVAETT...	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