1MG
1N-METHYLGUANOSINE-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 | 41 |
Chiral Atom Count | 4 |
Bond Count | 43 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 1N-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 |
Formula | C11 H16 N5 O8 P |
Molecular Weight | 377.247 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O |
SMILES | CACTVS | 3.341 | CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N=C1N |
Canonical SMILES | CACTVS | 3.341 | CN1C(=Nc2n(cnc2C1=O)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)N |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | RQNAZTAAOUHEIL-KQYNXXCUSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 18596452 |
ChEBI | CHEBI:74268 |