M2G
N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 4 |
Bond Count | 46 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | N2-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 |
Formula | C12 H18 N5 O8 P |
Molecular Weight | 391.274 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3O)COP(=O)(O)O |
SMILES | CACTVS | 3.341 | CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C1=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(=O)N1 |
Canonical SMILES | CACTVS | 3.341 | CN(C)C1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1 |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | IWJFVRMOIKWYNZ-IOSLPCCCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10691837, 135528754 |
ChEBI | CHEBI:43967 |