Details of the Drug

General Information of Drug (ID: DMNRW57)

Drug Name
D-glucose 6-phosphate
Synonyms
Aldohexose 6-phosphate; D(+)-Glucopyranose 6-phosphate; D-Glucose 6-phosphate; D-Glucose 6-phosphoric acid; D-glucose-6-phosphate; SCHEMBL6599; VFRROHXSMXFLSN-SLPGGIOYSA-N; ZINC19850142; glucose-6 phosphate; (2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl dihydrogen phosphate; 375AW34SQA; 56-73-5; 6-O-phosphono-D-glucose; AC1L98E0; CHEBI:15954; CTK3I9725; UNII-375AW34SQA; [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate; aldehydo-D-glucose 6-(dihydrogen phosphate); aldehydo-D-glucose 6-phosphate
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -4.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
Canonical SMILES
C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O
InChI
VFRROHXSMXFLSN-SLPGGIOYSA-N
InChIKey
1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
Cross-matching ID
PubChem CID
439958
ChEBI ID
CHEBI:15954
CAS Number
56-73-5
INTEDE ID
DR2083

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Glucose-6-phosphatase beta (G6PC3)
Main DME 		DEE1B8O G6PC3_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Glucose-6-phosphatase 2 (G6PC2) OTET1IKU G6PC2_HUMAN Biotransformations [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Identification and characterisation of a new human glucose-6-phosphatase isoform. FEBS Lett. 2003 Sep 11;551(1-3):159-64.
2 Enzymatic characterization of the pancreatic islet-specific glucose-6-phosphatase-related protein (IGRP). J Biol Chem. 2004 Apr 2;279(14):13976-83. doi: 10.1074/jbc.M307756200. Epub 2004 Jan 13.