DDN

3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE

Created: 2004-12-14
Last modified:  2021-03-13

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count4
Bond Count36
Aromatic Bond Count0
2D diagram of DDN
Toggle HydrogenToggle Labels

Chemical Component Summary

Name3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Synonyms((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,5R)-3-hydroxy-5-[(4R)-4-hydroxy-2-oxo-3,4-dihydropyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
FormulaC9 H15 N2 O8 P
Molecular Weight310.198
TypeDNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C[CH](O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(NC2=O)O)COP(=O)(O)O)O
Canonical SMILESCACTVS3.341 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C[C@@H](O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1
InChIKeyInChI1.03 ILSIYJVILUIVPM-LXGUWJNJSA-N

Drug Info: DrugBank

DrugBank IDDB04280 
Name3,4-Dihydro-2'-deoxyuridine-5'-monophosphate
Groups experimental
Synonyms3,4-Dihydro-2'-deoxyuridine-5'-monophosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
Deoxycytidylate deaminaseMKASTVLQIAYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCC...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 449076