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
HXXFSFRBOHSIMQ-VFUOTHLCSA-N
InChIKey
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
Cross-matching ID
PubChem CID
65533
ChEBI ID
CHEBI:29042
CAS Number
59-56-3
DrugBank ID
DB02843
INTEDE ID
DR2082

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.