6OG

6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE

Created:2004-04-30
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count3
Bond Count42
Aromatic Bond Count10
2D diagram of 6OG

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Chemical Component Summary

Name6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,5R)-5-(2-azanyl-6-methoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC11 H16 N5 O7 P
Molecular Weight361.248
TypeDNA LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O
SMILESCACTVS3.370COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILESOpenEye OEToolkits1.7.0COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)(O)O)O
Canonical SMILESCACTVS3.370 COc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
Canonical SMILESOpenEye OEToolkits1.7.0 COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03 GFRAHVJOXXMIDI-RRKCRQDMSA-N

Related Resource References

Resource NameReference
PubChem 124999
ChEMBL CHEMBL1230511