Molecular Formula: C36H54N4NaO17P3--
Molecular weight: 930.741613
InChi: InChI=1S/C36H57N4O17P3.Na/c1-19(23-7-8-24-32-25(15-29(44)36(23,24)3)35(2)11-10-22(41)13-21(35)14-27(32)43)6-9-30(45)38-12-4-5-20-17-40(34(46)39-33(20)37)31-16-26(42)28(55-31)18-54-59(50,51)57-60(52,53)56-58(47,48)49;/h17,19,21-29,31-32,41-44H,6-16,18H2,1-3H3,(H,38,45)(H,50,51)(H,52,53)(H2,37,39,46)(H2,47,48,49);/q;+1/p-3/t19-,21+,22-,23-,24+,25+,26+,27-,28-,29+,31-,32+,35+,36-;/m1./s1
InChi Key: BHGRDBGUOSQILR-TVKVFBLKSA-K
SMILES: [C@@]12([C@H]([C@H]3[C@H](C[C@@H]2O)[C@@]2([C@H](C[C@H]3O)C[C@@H](CC2)O)C)CC[C@@H]1[C@@H](CCC(=O)NCC#Cc1cn([C@@H]2O[C@@H]([C@H](C2)O)COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])c(=O)nc1N)C)C.[Na+]
Chemical Name
5-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine triphosphate
5-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine triphosphate
Authors of compound