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- ChemComp-ANG: 8-AMINOGUANINE -

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Basic information

EntryDatabase: PDB chemical components / ID: ANG
NameName: 8-aminoguanine

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Chemical information

Composition
Formula: C5H6N6O / Number of atoms: 18 / Formula weight: 166.141 / Formal charge: 0
Others

1lwv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ANG / Model coordinates PDB-ID: 1LWV
History
Create componentJun 13, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1c2nc(nc2N=C(N1)N)N
CACTVS 3.341NC1=Nc2[nH]c(N)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c12c([nH]c(n1)N)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2[nH]c(N)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c12c([nH]c(n1)N)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)

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InChIKey

InChI 1.03WYDKPTZGVLTYPG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,8-diamino-1,9-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.5.02,8-diamino-1,9-dihydropurin-6-one

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PDB entries

Showing all 4 items

PDB-1lwv:
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-aminoguanine

PDB-1m3q:
Crystal Structure of hogg1 D268E Mutant with Base-Excised DNA and 8-aminoguanine

PDB-6uc8:
Guanine riboswitch bound to 8-aminoguanine

PDB-8xzr:
Crystal structure of folE riboswitch with 8-NH2 Guanine

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