Details of the Drug

General Information of Drug (ID: DMOC25M)

• Drug Name: GDP-mannose
• Synonyms: GDP-D-mannose; GDP-alpha-D-mannose; GDP-mannose; Gdp mannose; SA0B77H8CS; guanosine diphosphate mannose; guanosine diphosphomannose; guanosine pyrophosphate mannose; 3123-67-9; GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE; Guanosine 5'-(trihydrogen diphosphate) P'-mannosyl ester; Guanosine 5'-(trihydrogen pyrophosphate) mono-D-mannosyl ester; Guanosine 5'-(trihydrogen pyrophosphate) monomannopyranosyl ester; Guanosine 5'-diphosphate D-mannose; Guanosine 5'-pyrophosphate D-mannosyl ester; UNII-SA0B77H8CS
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 605.3
  Logarithm of the Partition Coefficient (xlogp); -6.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 10
  Hydrogen Bond Acceptor Count (hbondacc); 18
• Chemical Identifiers:
  Formula: C16H25N5O16P2
  IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N
  InChI: MVMSCBBUIHUTGJ-GDJBGNAASA-N
  InChIKey: 1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1
• Cross-matching ID:
  PubChem CID: 135398627
  ChEBI ID: CHEBI:15820
  CAS Number: 3123-67-9
  INTEDE ID: DR2097

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
GDP-mannose 4,6-dehydratase (GMDS) Main DME	DE8K7F3	GMDS_HUMAN	Substrate	[1]

References

• [1] Structural and enzymatic characterization of human recombinant GDP-D-mannose-4,6-dehydratase. FEBS Lett. 1999 Aug 13;456(3):370-4.