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CHEBI:71524 - 5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine

ChEBI IDCHEBI:71524
ChEBI Name5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine
Stars
ASCII Name5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine
DefinitionA carbamate ester of thymidine in which the 5'-hydroxy group has been esterified with [3-(benzoyloxy)-3-oxopropyl]carbamic acid,
Last Modified3 January 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H23N3O9
Net Charge0
Average Mass461.427
Monoisotopic Mass461.14343
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)NCCC(=O)OC(=O)c3ccccc3)O2)c(=O)nc1=O
InChIInChI=1S/C21H23N3O9/c1-12-10-24(20(29)23-18(12)27)16-9-14(25)15(32-16)11-31-21(30)22-8-7-17(26)33-19(28)13-5-3-2-4-6-13/h2-6,10,14-16,25H,7-9,11H2,1H3,(H,22,30)(H,23,27,29)/t14-,15+,16+/m0/s1
InChIKeyDLBSZHGZKIHVDU-ARFHVFGLSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine (CHEBI:71524) has functional parent thymidine (CHEBI:17748)
5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine (CHEBI:71524) is a carbamate ester (CHEBI:23003)
IUPAC Name 
5'-O-{[3-(benzoyloxy)-3-oxopropyl]carbamoyl}thymidine
Citations