3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate

Properties Image Occurences in reactions MNX_ID MNXM4349 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C24H41O7S charge -1 mass 473.25785 reference chebi:58809 InChIKey BKZKSSHAWFCVDU-JLIFGLSWSA-M InChI InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/p-1/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 SMILES C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph