Lithocholic acid 3-glucuronide

More details:

• Systematic name

  (3alpha,5beta)-24-Hydroxy-24-oxocholan-3-yl beta-D-glucopyranosiduronic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C

• Std. InChi

  InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1

• Std. InChIKey

  GIQXKAXWRLHLDD-VYACWCJYSA-N

• Cite this record

  CSID:58910142, http://www.chemspider.com/Chemical-Structure.58910142.html (accessed 16:29, Apr 25, 2024)