DU

2'-DEOXYURIDINE-5'-MONOPHOSPHATE

Created: 2001-06-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count3
Bond Count34
Aromatic Bond Count0
2D diagram of DU

Chemical Component Summary

Name2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC9 H13 N2 O8 P
Molecular Weight308.182
TypeDNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
Canonical SMILESCACTVS3.341 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyInChI1.03 JSRLJPSBLDHEIO-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank IDDB03800 
NameDeoxyuridine monophosphate
Groups experimental
Synonyms
  • Deoxyuridylate
  • Deoxyuridine monophosphate
  • 2'-Deoxyuridine 5'-phosphate
  • dUMP
  • 2'-deoxyuridine 5'-monophosphate
Categories
  • Deoxyribonucleotides
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleotides
  • Pyrimidine Nucleotides
  • Pyrimidines
CAS number964-26-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Deoxyuridine 5'-triphosphate nucleotidohydrolaseMKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLV...unknown
Thymidylate synthaseMLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTK...unknown
Thymidylate synthaseMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...unknown
Thymidylate synthaseMPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDR...unknown
Thymidylate synthase ThyXMKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEERDRHLIEYLMK...unknown
View More
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 65063
ChEMBL CHEMBL211312
ChEBI CHEBI:17622