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

General Information of Drug (ID: DR2694)
Drug Name
Mannotetraose
Synonyms
Mannotetraose; Q27132313; 51327-76-5; CHEBI:62973; Mannose, O-beta-D-mannopyranosyl-(1-4)-O-beta-D-mannopyranosyl-(1-4)-O-beta-D-mannopyranosyl-(1-4)-, D-; O-MTE; beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp; beta-D-mannopyranosyl-(1->4)-beta-D-mannopyranosyl-(1->4)-beta-D-mannopyranosyl-(1->4)-D-mannopyranose
Indication Alzheimer disease [ICD11: 8A20] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 666.6 Topological Polar Surface Area 348
Heavy Atom Count 45 Rotatable Bond Count 10
Hydrogen Bond Donor Count 14 Hydrogen Bond Acceptor Count 21
Cross-matching ID
PubChem CID
53477669
ChEBI ID
CHEBI:62973
CAS Number
51327-76-5
Formula
C24H42O21
Canonical SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
InChI
1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21?,22+,23+,24+/m1/s1
InChIKey
LUEWUZLMQUOBSB-MHJOMNRISA-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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005850 Mannotetraose Unclear Unclear manB [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-mannosidase (manB) DME1195 Bacteroides salyersiae
I8XYI3_9BACE
3.2.1.78
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Beta-mannosidase (manB) DME1195 Kcat/Km = 0.0045 s-1microM-1
I8XYI3_9BACE
[2]
References
1 Synthesis and bioassay of beta-(1,4)-D-mannans as potential agents against Alzheimer's disease. Acta Pharmacol Sin. 2013 Dec;34(12):1585-91.
2 Structure and function of Bs164 beta-mannosidase from Bacteroides salyersiae the founding member of glycoside hydrolase family GH164. J Biol Chem. 2020 Mar 27;295(13):4316-4326.

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