N-[(3α,5β,7α,20S)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine

More details:

• Systematic name

  N-[(3alpha,5beta,7alpha,20S)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine

• SMILES

  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](C[C@H]1C[C@H]3O)OS(O)(=O)=O

• Std. InChi

  InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16-,17+,18+,19-,20-,21+,24-,25-,26+/m0/s1

• Std. InChIKey

  DKXXSIJHWWVNMO-AVMJQDEWSA-N

• Cite this record

  CSID:113618482, http://www.chemspider.com/Chemical-Structure.113618482.html (accessed 05:39, Oct 1, 2023)