DXX

METHYLMALONIC ACID

Created:	1999-08-26
Last modified:	2024-09-27

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5 entries where DXX is found as a standalone ligand4 entries where DXX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

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Chemical Component Summary
Name	METHYLMALONIC ACID
Systematic Name (OpenEye OEToolkits)	2-methylpropanedioic acid
Formula	C₄ H₆ O₄
Molecular Weight	118.088
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(C(=O)O)C
SMILES	CACTVS	3.341	CC(C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKey	InChI	1.03	ZIYVHBGGAOATLY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04183
Name	Methylmalonic Acid
Groups	experimental
Description	A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [PubChem]
Synonyms	Methylmalonic Acid
Categories	Acids, Acyclic Dicarboxylic Acids Malonates
CAS number	516-05-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methylmalonyl-CoA carboxyltransferase 12S subunit	MAENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARER...	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