Details of the Drug

General Information of Drug (ID: DMPW46G)

Drug Name
D-glucose 1-phosphate
Synonyms
CIX3U01VAU; D-Glucose alpha-1-phosphate; Glucos P; Glucose 1-(dihydrogen phosphate); Glucose monophosphate; Glucose-1-phosphate; alpha-glucose-1-phosphate; .alpha.-D-Glucopyranose, 1-(dihydrogen phosphate); 1-O-phosphono-alpha-D-glucopyranose; 59-56-3; CHEBI:29042; G1P; HXXFSFRBOHSIMQ-VFUOTHLCSA-N; UNII-CIX3U01VAU; alpha-D-Glucopyranose, 1-(dihydrogen phosphate); alpha-D-Glucopyranosyl phosphate; alpha-D-Glucose 1-phosphate; alpha-D-glucose-1-phosphate
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Canonical SMILES
C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey
HXXFSFRBOHSIMQ-VFUOTHLCSA-N
Cross-matching ID
PubChem CID
65533
ChEBI ID
CHEMBL29042
CAS Number
59-56-3
UNII
CIX3U01VAU
DrugBank ID
DB02843
INTEDE ID
DR2082
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucose pyrophosphorylase (UGPase) DE4U39Y UGPA_HUMAN Substrate [1]
Phosphomannomutase 1 (PMM1) DEJFMQ8 PMM1_HUMAN Substrate [2]
Phosphomannomutase 2 (PMM2) DEBRX3L PMM2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The crystal structure of human UDP-glucose pyrophosphorylase reveals a latch effect that influences enzymatic activity. Biochem J. 2012 Mar 1;442(2):283-91.
2 The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J Biol Chem. 2006 May 26;281(21):14918-26.