Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2056)
Drug Name
Malate
Synonyms
Apple acid; Butanedioic acid, hydroxy-, (2S)-; J3TZF807X5; L(-)-Malic acid; L-(-)-Malic acid; L-2-Hydroxybutanedioic acid; L-Apple acid; L-Hydroxybutanedioic acid; L-Hydroxysuccinic acid; L-Malic acid; L-malate; Malic acid, L-; S-(-)-Malic acid; S-2-Hydroxybutanedioic acid; (-)-(S)-Malic acid; (-)-Hydroxysuccinic acid; (-)-L-Malic acid; (-)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(-)-Hydroxysuccinic acid; (S)-2-hydroxysuccinic acid; (S)-Malic acid; (S)-malate; 97-67-6; MFCD00064213; NSC9232; UNII-J3TZF807X5
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 134.09 Topological Polar Surface Area 94.8
Heavy Atom Count 9 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
222656
ChEBI ID
CHEBI:30797
CAS Number
636-61-3
Formula
C4H6O5
Canonical SMILES
C(C(C(=O)O)O)C(=O)O
InChI
1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
BJEPYKJPYRNKOW-REOHCLBHSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Oxaloacetate DM003435
970
Oxidation - Oxidationn 1 [5]
Unclear DM009999 N. A. Unclear 1 [6]
Unclear DM009999 N. A. Unclear 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005857 Malate Oxaloacetate Oxidation - Oxidationn Unclear [5]
MR005858 Malate Unclear Unclear maeB ... [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
L-malate:NADP(+) oxidoreductase (maeB) DME1471 Hungateiclostridium thermocellum
MAO2_ECOLI
1.1.1.40
[2] , [3]
NADP-dependent malic enzyme (ME1) DME0504 Homo sapiens
MAOX_HUMAN
1.1.1.40
[4]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
L-malate:NADP(+) oxidoreductase (maeB) DME1471 Km = 0.3 microM
MAO2_ECOLI
[2] , [3]
NADP-dependent malic enzyme (ME1) DME0504 Km = 0.8 microM
MAOX_HUMAN
[4]
References
1 Using low-calorie orange juice as a dietary alternative to alkali therapy. J Endourol. 2020 May 2.
2 Thermostable, ammonium-activated malic enzyme of Clostridium thermocellum. Biochim Biophys Acta. 1981 Aug 13;660(2):251-5.
3 The correlation between Clostridium-difficile infection and human gut concentrations of Bacteroidetes phylum and clostridial species. Eur J Clin Microbiol Infect Dis. 2014 Mar;33(3):377-83.
4 Structural characteristics of the nonallosteric human cytosolic malic enzyme. Biochim Biophys Acta. 2014 Oct;1844(10):1773-83.
5 Malate and Aspartate Increase L-Arginine and Nitric Oxide and Attenuate Hypertension
6 Metabolism of l-Malate and d-Malate by a Species of Pseudomonas

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