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- ChemComp-TNM: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-pho... -

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Basic information

EntryDatabase: PDB chemical components / ID: TNM
NameName: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
Synonyms: Tenofovir-monophosphate; PMPA-monophosphate

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Chemical information

Composition
Formula: C9H15N5O7P2 / Number of atoms: 38 / Formula weight: 367.192 / Formal charge: 0
Others

3fkb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TNM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3FKB
History
Create componentDec 18, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / BindingDB / CompTox / 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 3.341C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341C[C@H](Cn1cnc2c(N)ncnc12)OC[P@@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1

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InChIKey

InChI 1.03BQDRSOMUPPCKPB-ZCFIWIBFSA-N

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PDB entries

Showing all 1 items

PDB-3fkb:
Structure of NDPK H122G and tenofovir-diphosphate

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