MAK

ALPHA-KETOMALONIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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3 entries where MAK is found as a standalone ligand1 entries where MAK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	0

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Chemical Component Summary
Name	ALPHA-KETOMALONIC ACID
Systematic Name (OpenEye OEToolkits)	2-oxopropanedioic acid
Formula	C₃ H₂ O₅
Molecular Weight	118.045
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)C(=O)O
SMILES	CACTVS	3.341	OC(=O)C(=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(=O)(C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(=O)(C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
InChIKey	InChI	1.03	XEEVLJKYYUVTRC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03589
Name	Mesoxalic acid
Groups	experimental
Synonyms	Ketomalonic acid Oxomalonic acid Mesoxalic acid alpha-Ketomalonic acid
Categories	Acids, Acyclic Dicarboxylic Acids
CAS number	473-90-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
NAD-dependent malic enzyme, mitochondrial	MLSRLRVVSTTCTLACRHLHIKEKGKPLMLNPRTNKGMAFTLQERQMLGL...	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