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3-ACETYL-1-RIBOFURANOSYLPYRIDINIUM HYDROXIDE, 5' TO 5'-ESTER WITH ADENOSINE 5'-DIPHOSPHATE, INNER SALT, DIHYDRATE
SpectraBase Compound ID Hr4q1iXeY4I
InChI InChI=1S/C22H28N6O14P2.2H2O/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37);2*1H2/t12-,13-,15-,16-,17-,18-,21-,22-;;/m1../s1
InChIKey RLDIJTRWXNLRGX-MNXWHKAMSA-N
Mol Weight 698.472 g/mol
Molecular Formula C22H32N6O16P2
Exact Mass 698.135003 g/mol
Enantiomer InChIKey RLDIJTRWXNLRGX-LIQDTEICSA-N
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