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6ZD : Summary
Code ![](/pdbe/static/images/help.png)
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6ZD
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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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5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
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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 H23 Cl N7 O10 P S
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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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559.876 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 |
C1(C(C(COP(CS(=O)(NCCNC(CCl)=O)=O)(O)=O)OC1n3c2c(C(N=C(N)N2)=O)nc3)O)O |
SMILES
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CACTVS |
3.385 |
NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)C[S](=O)(=O)NCCNC(=O)CCl)[CH](O)[CH]3O)c2N1 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
c1nc2c(n1C3C(C(C(O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC1=NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)C[S](=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]3O)c2N1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AYYURYDKBCGXDD-FRJWGUMJSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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58 (35 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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2016-07-29
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Last modified at ![](/pdbe/static/images/help.png)
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2017-04-07
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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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