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MG7 : Summary
Code
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MG7
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One-letter code
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X
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Molecule name
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7-METHYLGUANOSINE
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Systematic names
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Formula
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C11 H16 N5 O5
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Formal charge
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1
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Molecular weight
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298.275 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C |
SMILES
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CACTVS |
3.341 |
C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O |
Canonical SMILES
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CACTVS |
3.341 |
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
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IUPAC InChI | InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1 |
IUPAC InChI key | OGHAROSJZRTIOK-KQYNXXCUSA-O |
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wwPDB Information |
Atom count
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37 (21 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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