| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM731820 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 10 |
| in models (compartimentalized) |
19 |
|
| formula | C26H45NO6S |
| charge | 0 |
| mass | 499.29676 |
| reference | biggM:tdchola |
| InChIKey | BHTRKEVKTKCXOH-QPRHXUMOSA-N |
| InChI | 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)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@H]3O |
|
