Chemical Component Summary

NameTHYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE
Identifiers[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-phosphoryl] hydrogen phosphate
FormulaC15 H24 N2 O15 P2
Molecular Weight534.303
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O
InChIInChI=1S/C15H24N2O15P2/c1-6-3-17(15(23)16-13(6)22)10-2-7(18)9(30-10)5-29-33(24,25)32-34(26,27)31-14-12(21)11(20)8(19)4-28-14/h3,7-12,14,18-21H,2,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,22,23)/t7-,8+,9+,10+,11-,12+,14+/m0/s1
InChIKeyAJUADKZRQSBUAK-KDGZBOQCSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count9
Bond Count60
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03161 
NameThymidine-5'-diphospho-beta-D-xylose
Groups experimental
SynonymsThymidine-5'-diphospho-beta-D-xylose

Drug Targets

NameTarget SequencePharmacological ActionActions
dTDP-glucose 4,6-dehydrataseMTEYKNIIVTGGAGFIGSNFVHYVYNNHPDVHVTVLDKLTYAGNRANLEE...unknown
DTDP-4-dehydrorhamnose 3,5-epimeraseMTENFFGKTLAARPVEAIPGMLEFDIPVHGDNRGWFKENFQKEKMLPLGF...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 447462