glycodeoxycholic acid 3-sulfate

More details:

• Systematic name

  N-[(3alpha,5beta,12alpha)-12-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@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

• Std. InChi

  InChI=1S/C26H43NO8S/c1-15(4-9-23(29)27-14-24(30)31)19-7-8-20-18-6-5-16-12-17(35-36(32,33)34)10-11-25(16,2)21(18)13-22(28)26(19,20)3/h15-22,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1

• Std. InChIKey

  QJZCNFGUZPMYAX-BUXLTGKBSA-N

• Cite this record

  CSID:58827480, http://www.chemspider.com/Chemical-Structure.58827480.html (accessed 07:15, Apr 25, 2024)