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IGA : Summary
Code ![](/pdbe/static/images/help.png)
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IGA
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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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6-amino-3,7-dihydro-2H-purin-2-one
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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 H5 N5 O
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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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151.126 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=C2N=C(c1c(ncn1)N2)N |
SMILES
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CACTVS |
3.370 |
NC1=NC(=O)Nc2nc[nH]c12 |
SMILES
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OpenEye OEToolkits |
1.7.2 |
c1[nH]c2c(n1)NC(=O)N=C2N |
Canonical SMILES
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CACTVS |
3.370 |
NC1=NC(=O)Nc2nc[nH]c12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
c1[nH]c2c(n1)NC(=O)N=C2N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DRAVOWXCEBXPTN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (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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2011-04-28
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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