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NP3 : Summary
Code
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NP3
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One-letter code
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N
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Molecule name
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1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
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Systematic names
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Formula
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C9 H13 N2 O8 P
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Formal charge
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0
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Molecular weight
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308.182 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
[O-][N+](=O)c1ccn(c1)C2OC(C(O)C2)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2)[N+]([O-])=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(cc1[N+](=O)[O-])C2CC(C(O2)COP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccc(c2)[N+]([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C9H13N2O8P/c12-7-3-9(10-2-1-6(4-10)11(13)14)19-8(7)5-18-20(15,16)17/h1-2,4,7-9,12H,3,5H2,(H2,15,16,17)/t7-,8+,9+/m0/s1 |
IUPAC InChI key | RZUPPTSNKSBSQO-DJLDLDEBSA-N |
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wwPDB Information |
Atom count
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33 (20 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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Not Assigned
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Defined at
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1999-12-20
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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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