D4M

[(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE



Chemical Component Summary

Name[(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Synonyms2',3'-DIDEOXY-2',3-DIDEHYDROTHYMIDINE 5'-MONOPHOSPHATE; 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-MONOPHOSPHATE
Identifiers[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
FormulaC10 H13 N2 O7 P
Molecular Weight304.193
TypeDNA LINKING
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O
InChIInChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKeyXLPGURCDSRIXFL-JGVFFNPUSA-N

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count2
Bond Count34
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04672 
NameCyclic 3',5'-thymidine monophosphate
Groups experimental
Synonyms
  • Cyclic 3',5'-thymidine monophosphate
  • Cyclic TMP
  • 3',5'-Cyclic dTMP
  • Thymidine cyclophosphate
  • cTMP
Categories
  • Deoxyribonucleotides
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleotides
  • Pyrimidine Nucleotides
  • Pyrimidines
CAS number6453-60-7

Drug Targets

NameTarget SequencePharmacological ActionActions
5'(3')-deoxyribonucleotidase, mitochondrialMIRLGGWCARRLCSAAVPAGRRGAAGGLGLAGGRALRVLVDMDGVLADFE...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 461278
ChEMBL CHEMBL403328