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- ChemComp-23T: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 23T
Status

D3T

Status: Obsoleted / Replaced by: D3T
NameName: 2',3'-dideoxy-thymidine-5'-triphosphate

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Chemical information

Composition
Formula: C10H17N2O13P3 / Number of atoms: 45 / Formula weight: 466.169 / Formal charge: 0
Others

2hhw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 23T / Model coordinates PDB-ID: 2HHW
History
Create componentJul 11, 2006
Modify descriptorJun 4, 2011
Obsolete componentMay 2, 2020
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 3.341CC1=CN([CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341CC1=CN([C@H]2CC[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1

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InChIKey

InChI 1.03URGJWIFLBWJRMF-JGVFFNPUSA-N

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PDB entries

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