Chenodeoxycholic acid 3-sulfate

More details:

• Systematic name

  (3alpha,5beta,7alpha)-7-Hydroxy-3-(sulfooxy)cholan-24-oic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

• Std. InChi

  InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

• Std. InChIKey

  WHMOBEGYTDWMIG-BSWAIDMHSA-N

• Cite this record

  CSID:13628372, http://www.chemspider.com/Chemical-Structure.13628372.html (accessed 22:33, Jun 9, 2023)