1MG

1N-METHYLGUANOSINE-5'-MONOPHOSPHATE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count4
Bond Count43
Aromatic Bond Count5
2D diagram of 1MG

Chemical Component Summary

Name1N-METHYLGUANOSINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC11 H16 N5 O8 P
Molecular Weight377.247
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O
SMILESCACTVS3.341CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)N
SMILESOpenEye OEToolkits1.5.0CN1C(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N=C1N
Canonical SMILESCACTVS3.341 CN1C(=Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)N
Canonical SMILESOpenEye OEToolkits1.5.0 CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N
InChIInChI1.03 InChI=1S/C11H16N5O8P/c1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyInChI1.03 RQNAZTAAOUHEIL-KQYNXXCUSA-N

Related Resource References

Resource NameReference
PubChem 18596452
ChEBI CHEBI:74268