Sodium {[(3α,5β,7α,9ξ,10ξ)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

More details:

• Systematic name

  Sodium {[(3alpha,5beta,7alpha,9xi,10xi)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

• SMILES

  C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)C.[Na+]

• 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-LOISZIMTSA-M

• Cite this record

  CSID:17341402, http://www.chemspider.com/Chemical-Structure.17341402.html (accessed 01:28, Apr 27, 2024)