DUR

2'-DEOXYURIDINE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count3
Bond Count29
Aromatic Bond Count0
2D diagram of DUR
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Chemical Component Summary

Name2'-DEOXYURIDINE
Systematic Name (OpenEye OEToolkits)1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
FormulaC9 H12 N2 O5
Molecular Weight228.202
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CO
SMILESCACTVS3.341OC[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
InChIInChI1.03 InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKeyInChI1.03 MXHRCPNRJAMMIM-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank IDDB02256 
Name2'-Deoxyuridine
Groups experimental
Description2'-Deoxyuridine. An antimetabolite that is converted to deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemias due to vitamin B12 and folate deficiencies. [PubChem]
Synonyms2'-Deoxyuridine
CAS number951-78-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Uridine phosphorylaseMSKSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREF...unknown
Thymidylate synthaseMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...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 13712
ChEMBL CHEMBL353955
ChEBI CHEBI:16450
CCDC/CSD DOURID