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Q88 : Summary
Code ![](/pdbe/static/images/help.png)
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Q88
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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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9H-purine-6,8-diamine
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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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C5 H6 N6
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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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150.141 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 |
n1c(c2nc(N)nc2nc1)N |
SMILES
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CACTVS |
3.370 |
Nc1[nH]c2ncnc(N)c2n1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1nc(c2c(n1)[nH]c(n2)N)N |
Canonical SMILES
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CACTVS |
3.370 |
Nc1[nH]c2ncnc(N)c2n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1nc(c2c(n1)[nH]c(n2)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PFUVOLUPRFCPMN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (11 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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2010-04-21
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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