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- ChemComp-GMS: 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: GMS
NameName: 2'-deoxyguanosine-5'-monoselenophosphate

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Chemical information

Composition
Formula: C10H14N5O6PSe / Number of atoms: 37 / Formula weight: 410.182 / Formal charge: 0
Others

1vro

DG

Type: DNA LINKING / PDB classification: ATOMN / One letter code: G / Three letter code: GMS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1VRO / Parent comp.: DG
History
Create componentNov 18, 2002
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
External linksUniChem / ChemSpider / 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=P(O)([SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)([SeH])=O)O3
OpenEye OEToolkits 1.7.5c1nc2c(n1C3CC(C(O3)COP(=O)(O)[SeH])O)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)([SeH])=O)O3
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C10H14N5O6PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

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InChIKey

InChI 1.03MMKHSOCVUGNOOR-KVQBGUIXSA-N

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SYSTEMATIC NAME

ACDLabs 10.042'-deoxy-5'-O-selenophosphonoguanosine
OpenEye OEToolkits 1.5.0[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-selanyl-phosphinic acid

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PDB entries

Showing all 1 items

PDB-8ilh:
The crystal structure of dG(Se-Sp)-DNA:Pol X product binary complex

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