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THM

Summary
Name:THYMIDINE
Synonyms:DEOXYTHYMIDINE
2'-DEOXYTHYMIDINE
Formula:C10 H14 N2 O5
Formal charge:0
Formula weight:242.229 Da
Component type:DNA OH 5 prime terminus

Chemical Identifiers

ProgramVersionName
ACDLabs10.04thymidine
OpenEye OEToolkits1.5.01-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO
SMILES_CANONICALCACTVS3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
SMILESCACTVS3.341CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
InChIInChI1.03InChI=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+/m0/s1
InChIKeyInChI1.03IQFYYKKMVGJFEH-XLPZGREQSA-N

218853

PDB entries from 2024-04-24

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