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3UC : Summary
Code ![](/pdbe/static/images/help.png)
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3UC
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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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[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
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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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C15 H20 F4 N2 O15 P2
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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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606.265 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(F)(F)C3(F)F)CO)O)O |
SMILES
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CACTVS |
3.385 |
OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(F)(F)C(F)(F)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)(F)F)(F)F)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)C(F)(F)C(F)(F)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H20F4N2O15P2/c16-14(17)10(26)5(3-22)34-12(15(14,18)19)35-38(30,31)36-37(28,29)32-4-6-8(24)9(25)11(33-6)21-2-1-7(23)20-13(21)27/h1-2,5-6,8-12,22,24-26H,3-4H2,(H,28,29)(H,30,31)(H,20,23,27)/t5-,6-,8-,9-,10+,11-,12-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MUYRTPUNBLMMOR-UMEAPJPCSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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58 (38 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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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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2014-10-31
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Last modified at ![](/pdbe/static/images/help.png)
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2015-01-16
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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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