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CHEBI:46574 - wybutosine

ChEBI IDCHEBI:46574
ChEBI Namewybutosine
Stars
DefinitionA nucleoside analogue having methyl (2S)-4-(4,6-dimethyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)-2-[(methoxycarbonyl)amino]butanoate as the modified nucleobase.
Last Modified31 March 2015
DownloadsMolfile
FormulaC21H28N6O9
Net Charge0
Average Mass508.488
Monoisotopic Mass508.19178
SMILESCOC(=O)N[C@@H](CCc1c(C)nc2n(C)c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)n12)C(=O)OC
InChIInChI=1S/C21H28N6O9/c1-9-11(6-5-10(19(32)34-3)24-21(33)35-4)27-17(31)13-16(25(2)20(27)23-9)26(8-22-13)18-15(30)14(29)12(7-28)36-18/h8,10,12,14-15,18,28-30H,5-7H2,1-4H3,(H,24,33)/t10-,12+,14+,15+,18+/m0/s1
InChIKeyQAOHCFGKCWTBGC-QHOAOGIMSA-N
ChEBI Ontology
Outgoing Relation(s)
wybutosine (CHEBI:46574) has functional parent guanosine (CHEBI:16750)
wybutosine (CHEBI:46574) is a carbamate ester (CHEBI:23003)
wybutosine (CHEBI:46574) is a methyl ester (CHEBI:25248)
wybutosine (CHEBI:46574) is a nucleoside analogue (CHEBI:60783)
IUPAC Name 
7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
Synonym  Source
ywChEBI
Registry NumbersSources
Reaxys:4625655Reaxys
Citations