| Name |
Tauroursodeoxycholic acid |
| Formula |
C26H45NO6S |
| Mw |
499.29675891 |
| CAS RN |
14605-22-2 |
| C_ID |
C00056161
|
| InChIKey |
BHTRKEVKTKCXOH-LBSADWJPSA-N |
| InChICode |
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1 |
| SMILES |
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Zingiberaceae | Curcuma longa  | Ref. |
|
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