Molecular Formula: C38H55N5NaO16P3--
Molecular weight: 953.778253
InChi: InChI=1S/C38H58N5O16P3.Na/c1-20(24-7-8-25-34-26(15-30(47)38(24,25)3)37(2)11-10-23(44)13-22(37)14-28(34)46)6-9-31(48)40-12-4-5-21-17-43(36-33(21)35(39)41-19-42-36)32-16-27(45)29(57-32)18-56-61(52,53)59-62(54,55)58-60(49,50)51;/h17,19-20,22-30,32,34,44-47H,6-16,18H2,1-3H3,(H,40,48)(H,52,53)(H,54,55)(H2,39,41,42)(H2,49,50,51);/q;+1/p-3/t20-,22+,23-,24-,25+,26+,27+,28-,29-,30+,32-,34+,37+,38-;/m1./s1
InChi Key: IGIBJSLAXDFYMK-HYPIPAASSA-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#Cc1c2c(n(c1)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])ncnc2N)C)C.[Na+]
Chemical Name
7-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine triphosphate
7-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine triphosphate
Authors of compound