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8HX : Summary
Code
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8HX
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One-letter code
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X
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Molecule name
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8-hydroxy-3,9-dihydro-1H-purine-2,6-dione
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Synonyms
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8-hydroxyxanthine
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Systematic names
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Formula
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C5 H4 N4 O3
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Formal charge
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0
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Molecular weight
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168.11 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C2c1nc(O)nc1NC(=O)N2 |
SMILES
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CACTVS |
3.385 |
Oc1[nH]c2NC(=O)NC(=O)c2n1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c12c([nH]c(n1)O)NC(=O)NC2=O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1[nH]c2NC(=O)NC(=O)c2n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c12c([nH]c(n1)O)NC(=O)NC2=O |
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IUPAC InChI | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) |
IUPAC InChI key | LEHOTFFKMJEONL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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16 (12 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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2013-10-29
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Last modified at
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2020-06-17
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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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