MLT

D-MALATE

Created:	1999-07-08
Last modified:	2020-06-05

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157 entries where MLT is found as a standalone ligand2 entries where MLT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	1
Bond Count	14
Aromatic Bond Count	0

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Chemical Component Summary
Name	D-MALATE
Synonyms	(2R)-2-HYDROXYBUTANEDIOIC ACID; 2-HYDROXY-SUCCINIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-oxidanylbutanedioic acid
Formula	C₄ H₆ O₅
Molecular Weight	134.087
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)CC(=O)O
SMILES	CACTVS	3.370	O[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(=O)O)O)C(=O)O
Canonical SMILES	CACTVS	3.370	O[C@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@H](C(=O)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKey	InChI	1.03	BJEPYKJPYRNKOW-UWTATZPHSA-N

Drug Info: DrugBank

DrugBank ID	DB03499
Name	D-Malic acid
Groups	experimental
Synonyms	(+)-D-malic acid D-Malic acid (R)-2-hydroxybutanedioic acid (R)-malic acid
CAS number	636-61-3

Drug Targets

Name	Target Sequence	Pharmacological Action
NAD-dependent malic enzyme, mitochondrial	MLSRLRVVSTTCTLACRHLHIKEKGKPLMLNPRTNKGMAFTLQERQMLGL...	unknown
Citrate synthase, mitochondrial	MALLTAAARLLGTKNASCLVLAARHASASSTNLKDILADLIPKEQARIKT...	unknown
Circadian clock protein KaiB	MSPFKKTYVLKLYVAGNTPNSVRALKMLKNILEQEFQGVYALKVIDVLKN...	unknown
Fumarate hydratase class II	MNTVRSEKDSMGAIDVPADKLWGAQTQRSLEHFRISTEKMPTSLIHALAL...	unknown
Malate synthase G	MTDRVSVGNLRIARVLYDFVNNEALPGTDIDPDSFWAGVDKVVADLTPQN...	unknown
Capsule biosynthesis protein	MQNNNEFKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAE...	unknown
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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