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ENQ : Summary
Code ![](/pdbe/static/images/help.png)
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ENQ
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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)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl 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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C17 H22 N5 O14 P2
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Formal charge ![](/pdbe/static/images/help.png)
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-1
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Molecular weight ![](/pdbe/static/images/help.png)
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582.329 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]1O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c5[nH]cc[n+]5cnc34)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.5 |
c1c[n+]2cnc3c(c2[nH]1)ncn3C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@@H]1O[C@H](CO[P]([O-])(=O)O[P]([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c5[nH]cc[n+]5cnc34)[C@@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.5 |
c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H23N5O14P2/c23-10-7(3-32-37(28,29)36-38(30,31)33-4-8-11(24)13(26)17(27)35-8)34-16(12(10)25)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-27H,3-4H2,(H2,28,29,30,31)/p-1/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YOABXPSQFWZTMU-QJWJOKBXSA-M |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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60 (38 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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RNA 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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2009-12-17
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Last modified at ![](/pdbe/static/images/help.png)
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2012-01-05
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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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