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CHEBI:64330 - wybutoxosine

ChEBI IDCHEBI:64330
ChEBI Namewybutoxosine
Stars
DefinitionA nucleoside analogue obtained by formal hydroperoxidation at the β-position on the side chain of wybutosine.
Last Modified10 January 2022
SubmitterSteve
DownloadsMolfile
FormulaC21H28N6O11
Net Charge0
Average Mass540.486
Monoisotopic Mass540.18161
SMILESCOC(=O)N[C@H](C(=O)OC)C(Cc1c(C)nc2n(C)c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)n12)OO
InChIInChI=1S/C21H28N6O11/c1-8-9(5-10(38-34)12(19(32)35-3)24-21(33)36-4)27-17(31)13-16(25(2)20(27)23-8)26(7-22-13)18-15(30)14(29)11(6-28)37-18/h7,10-12,14-15,18,28-30,34H,5-6H2,1-4H3,(H,24,33)/t10?,11-,12+,14-,15-,18-/m1/s1
InChIKeyWCNMEQDMUYVWMJ-JPZHCBQBSA-N
ChEBI Ontology
Outgoing Relation(s)
wybutoxosine (CHEBI:64330) has functional parent guanosine (CHEBI:16750)
wybutoxosine (CHEBI:64330) is a carbamate ester (CHEBI:23003)
wybutoxosine (CHEBI:64330) is a methyl ester (CHEBI:25248)
wybutoxosine (CHEBI:64330) is a nucleoside analogue (CHEBI:60783)
wybutoxosine (CHEBI:64330) is a peroxol (CHEBI:35924)
IUPAC Name 
7-{(3S)-2-hydroperoxy-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
Synonyms  Source
wybutoxosinChEBI
Peroxy Y nucleosideChemIDplus
osywChEBI
Registry NumbersSources
CAS:78355-49-4ChemIDplus