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7GU : Summary
Code
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7GU
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One-letter code
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G
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Molecule name
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7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C11 H15 N4 O7 P
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Formal charge
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0
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Molecular weight
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346.233 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2c(N=C(N)N1)n(cc2)C3OC(C(O)C3)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
NC1=Nc2n(ccc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(c2c1C(=O)NC(=N2)N)C3CC(C(O3)COP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
NC1=Nc2n(ccc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C11H15N4O7P/c12-11-13-9-5(10(17)14-11)1-2-15(9)8-3-6(16)7(22-8)4-21-23(18,19)20/h1-2,6-8,16H,3-4H2,(H2,18,19,20)(H3,12,13,14,17)/t6-,7+,8+/m0/s1 |
IUPAC InChI key | XSAPYRXAHBJNQR-XLPZGREQSA-N |
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wwPDB Information |
Atom count
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38 (23 without Hydrogen)
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Polymer type
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Deoxy ribonucleotide
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Type description
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DNA 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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DG
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Defined at
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2004-08-08
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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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