Chemical Component Summary

Name3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE
Identifiers[(2R,3S,5R)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] ethanoate
FormulaC12 H18 N2 O12 P2
Molecular Weight444.225
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C
InChIInChI=1S/C12H18N2O12P2/c1-6-4-14(12(17)13-11(6)16)10-3-8(24-7(2)15)9(25-10)5-23-28(21,22)26-27(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
InChIKeyUWSIAAWKEICIJY-IVZWLZJFSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count4
Bond Count47
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02549 
Name3'-O-Acetylthymidine-5'-diphosphate
Groups experimental
Synonyms
  • 3'-O-Acetylthymidine 5'-(trihydrogen diphosphate)
  • 3'-O-Acetylthymidine-5'-diphosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
dTDP-4-dehydrorhamnose 3,5-epimeraseMMIVIKTAIPDVLILEPKVFGDERGFFFESYNQQTFEELIGRKVTFVQDN...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 445182