Molecular Formula: C38H55N5NaO15P3--
Molecular weight: 937.778853
InChi: InChI=1S/C38H58N5O15P3.Na/c1-21(26-9-10-27-25-8-7-23-15-24(44)12-13-37(23,2)28(25)16-31(46)38(26,27)3)6-11-32(47)40-14-4-5-22-18-43(36-34(22)35(39)41-20-42-36)33-17-29(45)30(56-33)19-55-60(51,52)58-61(53,54)57-59(48,49)50;/h18,20-21,23-31,33,44-46H,6-17,19H2,1-3H3,(H,40,47)(H,51,52)(H,53,54)(H2,39,41,42)(H2,48,49,50);/q;+1/p-3/t21-,23-,24-,25+,26-,27+,28+,29+,30-,31+,33-,37+,38-;/m1./s1
InChi Key: WPOGJAFHLSXAFQ-JCYXYBNYSA-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#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,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine triphosphate
7-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine triphosphate
Authors of compound