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GUN : Summary
Code
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GUN
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One-letter code
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X
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Molecule name
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GUANINE
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Systematic names
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Formula
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C5 H5 N5 O
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Formal charge
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0
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Molecular weight
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151.126 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2ncnc2N=C(N1)N |
SMILES
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CACTVS |
3.341 |
NC1=Nc2[nH]cnc2C(=O)N1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1[nH]c2c(n1)C(=O)NC(=N2)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC1=Nc2[nH]cnc2C(=O)N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1[nH]c2c(n1)C(=O)NC(=N2)N |
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IUPAC InChI | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) |
IUPAC InChI key | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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16 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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