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- ChemComp-TG: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidan... -

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Basic information

EntryDatabase: PDB chemical components / ID: TG
NameName: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one

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Chemical information

Composition
Formula: C9H11N5O7P / Number of atoms: 33 / Formula weight: 332.187 / Formal charge: 0
Others

6mu5

G

Type: RNA linking / PDB classification: ATOMN / Three letter code: TG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6MU5 / Parent comp.: G
History
Create componentOct 23, 2018
Initial releaseJun 5, 2019
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

CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P](O)(=O)=O)[CH]3O
OpenEye OEToolkits 2.0.6c1nc2c(n1C3C(C(CO3)OP(=O)(=O)O)O)N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3OC[C@H](O[P](O)(=O)=O)[C@H]3O
OpenEye OEToolkits 2.0.6c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C9H11N5O7P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(15)3(1-20-8)21-22(17,18)19/h2-3,5,8,15H,1H2,(H,17,18,19)(H3,10,12,13,16)/t3-,5+,8+/m0/s1

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InChIKey

InChI 1.03RGZPMPBDCRFFGY-OTEWCHCRSA-N

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PDB entries

Showing all 3 items

PDB-6u89:
RNA duplex, bound with TNA monomer

PDB-6u8f:
RNA hairpin, bound with TNA monomer

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

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