Sodium {[(3α,5α,7α,9β)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

More details:

• Systematic name

  Sodium {[(3alpha,5alpha,7alpha,9beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

• SMILES

  [Na+].C[C@H](CCC(=O)NCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O

• Std. InChi

  InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18-,19+,20-,21-,24+,25+,26-;/m1./s1

• Std. InChIKey

  AAYACJGHNRIFCT-HLZVBWARSA-M

• Cite this record

  CSID:114565950, http://www.chemspider.com/Chemical-Structure.114565950.html (accessed 23:14, May 19, 2024)