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XTS : Summary
Code ![](/pdbe/static/images/help.png)
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XTS
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One-letter code ![](/pdbe/static/images/help.png)
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G
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Molecule name ![](/pdbe/static/images/help.png)
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9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE
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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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C10 H12 N4 O6
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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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284.225 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 |
10.04 |
O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3 |
SMILES
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CACTVS |
3.341 |
OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
Canonical SMILES
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CACTVS |
3.341 |
OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UBORTCNDUKBEOP-BDXYJKHTSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (20 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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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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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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G
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Defined at ![](/pdbe/static/images/help.png)
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2007-03-02
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-26
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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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