Sodium {[(3β,5α,7β,8α,9β,10α,13α,14β,17α,20S)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

More details:

• Systematic name

  Sodium {[(3beta,5alpha,7beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-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-;/m0./s1

• Std. InChIKey

  AAYACJGHNRIFCT-VRTHITGOSA-M

• Cite this record

  CSID:110103294, http://www.chemspider.com/Chemical-Structure.110103294.html (accessed 00:17, May 31, 2024)