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Summary

Name:GUANOSINE-5'-THIO-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P S
Formal charge:0
Molecular weight:363.287 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-5'-O-thiophosphonoguanosine
OpenEye OEToolkits1.5.0[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
SMILES_CANONICALCACTVS3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(S)=O)O3
SMILESCACTVS3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=O)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)S)O)N=C(NC2=O)N
InChIInChI1.03InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyInChI1.03PSIUGNOLTIFXCJ-KVQBGUIXSA-N
167518
PDB entries from 2020-08-12