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- ChemComp-LLT: L-deoxythymidine -

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Basic information

EntryDatabase: PDB chemical components / ID: LLT
NameName: L-deoxythymidine
Synonyms: L-thymidine; beta-L-thymidine; L-dT; 2'-deoxy-L-thymidine; 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

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Chemical information

Composition
Formula: C10H14N2O5 / Number of atoms: 31 / Formula weight: 242.229 / Formal charge: 0
Others

3hp1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LLT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HP1
History
Create componentJun 4, 2009
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 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

ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1

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InChIKey

InChI 1.03IQFYYKKMVGJFEH-CSMHCCOUSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.5.01-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

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PDB entries

Showing all 2 items

PDB-3hp1:
Crystal structure of human dCK R104M/D133A in complex with L-dT and ADP

PDB-3qeo:
S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP

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