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- ChemComp-DG3: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DG3
NameName: 2'-3'-dideoxyguanosine-5'-triphosphate

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Chemical information

Composition
Formula: C10H16N5O12P3 / Number of atoms: 46 / Formula weight: 491.182 / Formal charge: 0
Others

1qss

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DG3 / Model coordinates PDB-ID: 1QSS
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / 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

CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3CC[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C10H16N5O12P3/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1

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InChIKey

InChI 1.03HDRRAMINWIWTNU-NTSWFWBYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.5.0[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

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