G16

1,6-di-O-phosphono-alpha-D-glucopyranose

Created:1999-08-11
Last modified:  2024-09-27

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Chemical Details

Formal Charge-1
Atom Count33
Chiral Atom Count5
Bond Count33
Aromatic Bond Count0
2D diagram of G16

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Chemical Component Summary

Name1,6-di-O-phosphono-alpha-D-glucopyranose
SynonymsALPHA-D-GLUCOSE 1,6-BISPHOSPHATE; 1,6-di-O-phosphono-alpha-D-glucose; 1,6-di-O-phosphono-D-glucose; 1,6-di-O-phosphono-glucose
Systematic Name (OpenEye OEToolkits)[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] hydrogen phosphate
FormulaC6 H13 O12 P2
Molecular Weight339.108
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1
InChIKeyInChI1.03 RWHOZGRAXYWRNX-VFUOTHLCSA-M

Drug Info: DrugBank

DrugBank IDDB02835 
NameAlpha-D-Glucose 1,6-Bisphosphate
Groups experimental
SynonymsAlpha-D-Glucose 1,6-Bisphosphate
CAS number10139-18-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-phosphoglucomutaseMFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE...unknown
Phosphoglucomutase-1MVKIVTVKTQAYQDQKPGTSGLRKRVKVFQSSANYAENFIQSIISTVEPA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 17753989