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- ChemComp-LCG: [(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5-DIOXABICYCLO[2.2.1]H... -

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Basic information

EntryDatabase: PDB chemical components / ID: LCG
NameName: [(1R,3R,4R,7S)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate

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Chemical information

Composition
Formula: C11H14N5O8P / Number of atoms: 39 / Formula weight: 375.231 / Formal charge: 0
Others

1h0q

DG

Type: RNA LINKING / PDB classification: ATOMN / One letter code: G / Three letter code: LCG / Model coordinates PDB-ID: 1H0Q / Parent comp.: DG
History
Create componentJun 27, 2002
Modify linking typeJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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=C2NC(=Nc1n(cnc12)C4OC3(C(O)C4OC3)COP(=O)(O)O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C]4(CO[CH]3[CH]4O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C4C(C(O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@]4(CO[C@@H]3[C@@H]4O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-3-16(7)9-5-6(17)11(24-9,1-22-5)2-23-25(19,20)21/h3,5-6,9,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,9-,11-/m1/s1

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InChIKey

InChI 1.03FZGXOAHULCKQGE-HLJYALQUSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-amino-9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-1,9-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.5.0[(1R,4R,6R,7S)-6-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-7lne:
ANA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

PDB-7lnf:
3'-deoxy modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

PDB-7lng:
TNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

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