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VG1

Summary
Name:ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Formula:C6 H13 O12 P V
Formal charge:0
Formula weight:359.075 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium
OpenEye OEToolkits1.5.0hydroxy-dioxo-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxy]vanadium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@H](O)[C@@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)[C@@H]1O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](CO[V](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)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O
InChIInChI1.03InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1
InChIKeyInChI1.03SYRDAPWACIANBN-QMKHLHGBSA-M

221051

PDB entries from 2024-06-12

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