Molecular Formula: C36H54N4NaO16P3--
Molecular weight: 914.742213
InChi: InChI=1S/C36H57N4O16P3.Na/c1-20(25-9-10-26-24-8-7-22-15-23(41)12-13-35(22,2)27(24)16-30(43)36(25,26)3)6-11-31(44)38-14-4-5-21-18-40(34(45)39-33(21)37)32-17-28(42)29(54-32)19-53-58(49,50)56-59(51,52)55-57(46,47)48;/h18,20,22-30,32,41-43H,6-17,19H2,1-3H3,(H,38,44)(H,49,50)(H,51,52)(H2,37,39,45)(H2,46,47,48);/q;+1/p-3/t20-,22-,23-,24+,25-,26+,27+,28+,29-,30+,32-,35+,36-;/m1./s1
InChi Key: PDGRFSAAJYRWMZ-WKXMIGGPSA-K
SMILES: [C@@]12([C@H]([C@H]3[C@H](C[C@@H]2O)[C@@]2([C@H](CC3)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,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine triphosphate
5-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine triphosphate
Authors of compound