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

General Information of Drug (ID: DR2765)
Drug Name
Methylthioribose phosphate
Synonyms
D-ribofuranoside; S5-methyl-5-thio-D-ribose-1-phosphate; 5-methylthio-5-deoxy-D-ribose-1-phosphate; 5-Methylthioribose 1-phosphate; 5-Methylthioribose 1-phosphate; 5-Methylthio-5-deoxy-D-ribose 1-phosphate
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 260.2 Topological Polar Surface Area 142
Heavy Atom Count 15 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
53477720
CAS Number
72843-83-5
Formula
C6H13O7PS
Canonical SMILES
CSCC1C(C(C(O1)OP(=O)(O)O)O)O
InChI
1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1
InChIKey
JTFITTQBRJDSTL-WATOWXBHSA-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
2-Keto-4-methylthiobutyrate DM003901
473
Unclear 1 [4]
5-Methylthioribose DM003905
439904
Unclear 1 [4]
5-methylthioribulose 1-phosphate (MTRu-1-P) DM003906
174549
Other reaction - Isomerization 1 [3]
Phosphate DM003103
1061
Unclear 1 [4]
2-Hydroxy-4-methylthiobutyrate DM003904
21262170
Unclear 2 [4]
3-Methylthiopropionate DM003902
563
Unclear 2 [4]
Methionine DM003070
6992087
Unclear 2 [4]
3-Methylthiopropionaldehyde DM003903
18635
Unclear 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004269 Methylthioribose phosphate 2-Keto-4-methylthiobutyrate Unclear Unclear [4]
MR004274 Methylthioribose phosphate 5-Methylthioribose Unclear Unclear [4]
MR004275 Methylthioribose phosphate Phosphate Unclear Unclear [4]
MR004276 Methylthioribose phosphate 5-methylthioribulose 1-phosphate (MTRu-1-P) Other reaction - Isomerization mtnA [3]
MR004270 2-Keto-4-methylthiobutyrate 3-Methylthiopropionate Unclear Unclear [4]
MR004272 2-Keto-4-methylthiobutyrate 2-Hydroxy-4-methylthiobutyrate Unclear Unclear [4]
MR004273 2-Keto-4-methylthiobutyrate Methionine Unclear Unclear [4]
MR004271 3-Methylthiopropionate 3-Methylthiopropionaldehyde Unclear Unclear [4]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Methylthioribose kinase (mtnK) DME1916 Klebsiella pneumoniae
MTNK_KLEPN
2.7.1.100
[2]
Methylthioribose-1-phosphate isomerase (mtnA) DMEN173 Bacillus subtilis
MTNA_BACSU
5.3.1.23
[3]
References
1 Structural insights into the catalytic mechanism of 5-methylthioribose 1-phosphate isomerase. J Struct Biol. 2019 Jan 1;205(1):67-77.
2 Selective killing of Klebsiella pneumoniae by 5-trifluoromethylthioribose. Chemotherapeutic exploitation of the enzyme 5-methylthioribose kinase. J Biol Chem. 1990 Jan 15;265(2):831-7.
3 Enzymatic characterization of 5-methylthioribose 1-phosphate isomerase from Bacillus subtilis
4 The metabolism of 5'-methylthioadenosine and 5-methylthioribose 1-phosphate in Saccharomyces cerevisiae

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