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1MG : Summary
Code
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1MG
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One-letter code
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G
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Molecule name
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1N-METHYLGUANOSINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C11 H16 N5 O8 P
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Formal charge
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0
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Molecular weight
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377.247 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)N |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1C(=O)c2c(n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N=C1N |
Canonical SMILES
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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
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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 |
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IUPAC InChI | 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 |
IUPAC InChI key | RQNAZTAAOUHEIL-KQYNXXCUSA-N |
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wwPDB Information |
Atom count
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41 (25 without Hydrogen)
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Polymer type
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Ribonucleotide
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Type description
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RNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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G
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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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