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G16

Summary
Name:1,6-di-O-phosphono-alpha-D-glucopyranose
Synonyms:ALPHA-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
Formula:C6 H13 O12 P2
Formal charge:-1
Formula weight:339.108 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose
OpenEye OEToolkits1.5.0[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] hydrogen phosphate
PDB-CARE1.0a-D-Glcp1PO36PO3

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03RWHOZGRAXYWRNX-VFUOTHLCSA-M

217705

PDB entries from 2024-03-27

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