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AMW

Summary
Name:ADENOSINE MONOTUNGSTATE
Formula:C10 H14 N5 O7 W
Formal charge:0
Formula weight:500.087 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(adenosinato-kappaO~5'~)(dihydroxy)oxotungsten
OpenEye OEToolkits1.5.0[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-dihydroxy-oxo-tungsten

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES_CANONICALCACTVS3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[W](O)(O)=O)[C@@H](O)[C@H]3O
SMILESCACTVS3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(O)=O)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO[W](=O)(O)O)O)O)N
InChIInChI1.03InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7-,10-;;;;/m1..../s1
InChIKeyInChI1.03FJSJQPRHXPUMLC-KWIZKVQNSA-L

218853

PDB entries from 2024-04-24

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