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CHEBI:40821 - [(6-amino-9H-purin-9-yl)-[5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate

ChEBI IDCHEBI:40821
ChEBI Name[(6-amino-9H-purin-9-yl)-[5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate
Stars
Last Modified14 April 2014
DownloadsMolfile
FormulaC17H17BFN5O8P
Net Charge-1
Average Mass480.134
Monoisotopic Mass480.08973
SMILES[H]OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]2([H])O[B@@-]3(OC([H])([H])c4c([H])c(F)c([H])c([H])c43)O[C@@]21[H]
InChIInChI=1S/C17H17BFN5O8P/c19-9-1-2-10-8(3-9)4-28-18(10)31-13-11(5-29-33(25,26)27)30-17(14(13)32-18)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17H,4-5H2,(H2,20,21,22)(H2,25,26,27)/q-1/t11-,13-,14-,17-,18+/m1/s1
InChIKeyZLSXXTYLUMEAGG-LBTDBDNISA-N
ChEBI Ontology
Outgoing Relation(s)
[(6-amino-9H-purin-9-yl)-[5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate (CHEBI:40821) is a benzoxaborole (CHEBI:78240)
Synonym  Source
[(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATEPDBeChem
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