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DP : Summary
Code
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DP
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One-letter code
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X
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Molecule name
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[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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Systematic names
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Formula
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C10 H14 N5 O7 P
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Formal charge
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0
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Molecular weight
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347.221 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NC1=NC(=O)N2C=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=N1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1C(C(OC1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
NC1=NC(=O)N2C=CN([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C2=N1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O |
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IUPAC InChI | InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H2,11,13,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 |
IUPAC InChI key | DRTOAYSVOYBQME-RRKCRQDMSA-N |
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wwPDB Information |
Atom count
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37 (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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No
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Standard parent
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Not Assigned
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Defined at
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2018-11-12
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Last modified at
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2019-06-07
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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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