2DT

3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE

Created: 1999-07-07
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count2
Bond Count36
Aromatic Bond Count0
2D diagram of 2DT
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Chemical Component Summary

Name3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE
Synonyms2',3'-DIDEOXYTHYMIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC10 H15 N2 O7 P
Molecular Weight306.209
TypeDNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(CC2)COP(=O)(O)O
SMILESCACTVS3.341CC1=CN([CH]2CC[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CCC(O2)COP(=O)(O)O
Canonical SMILESCACTVS3.341 CC1=CN([C@H]2CC[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O
InChIInChI1.03 InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKeyInChI1.03 WVNRRNJFRREKAR-JGVFFNPUSA-N

Drug Info: DrugBank

DrugBank IDDB03150 
Name2',3'-Dideoxythymidine-5'-Monophosphate
Groups experimental
Synonyms2',3'-Dideoxythymidine-5'-Monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidylate kinaseMAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 165151
ChEMBL CHEMBL1229914