M2G

N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE

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

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count46
Aromatic Bond Count5
2D diagram of M2G

Chemical Component Summary

NameN2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5R)-5-(2-dimethylamino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC12 H18 N5 O8 P
Molecular Weight391.274
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3O)COP(=O)(O)O
SMILESCACTVS3.341CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILESOpenEye OEToolkits1.5.0CN(C)C1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N1
Canonical SMILESCACTVS3.341 CN(C)C1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits1.5.0 CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1
InChIInChI1.03 InChI=1S/C12H18N5O8P/c1-16(2)12-14-9-6(10(20)15-12)13-4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H,14,15,20)(H2,21,22,23)/t5-,7-,8-,11-/m1/s1
InChIKeyInChI1.03 IWJFVRMOIKWYNZ-IOSLPCCCSA-N

Related Resource References

Resource NameReference
PubChem 10691837, 135528754
ChEBI CHEBI:43967