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EW3 : Summary
Code ![](/pdbe/static/images/help.png)
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EW3
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H14 F N2 O8 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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328.188 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F |
Canonical SMILES
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CACTVS |
3.385 |
O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H14FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h4,6-8,14H,1-3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QEKJBDVYKHPUGN-XVFCMESISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Deoxy ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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DNA linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-02-10
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Last modified at ![](/pdbe/static/images/help.png)
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2021-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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