EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C38H51N3O12S2 |
| Net Charge | 0 |
| Average Mass | 805.969 |
| Monoisotopic Mass | 805.29142 |
| SMILES | [H][C@@]1(c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)c2cc(N(C)C)ccc2S(=O)(=O)C[C@@](CC)(CCCC)[C@@H]1O |
| InChI | InChI=1S/C38H51N3O12S2/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1 |
| InChIKey | ULVBLFBUTQMAGZ-RTNCXNSASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| volixibat (CHEBI:755736) is a organic heterobicyclic compound (CHEBI:27171) |
| volixibat (CHEBI:755736) is a organosulfur heterocyclic compound (CHEBI:38106) |
| INN | Source |
|---|---|
| volixibat | WHO MedNet |
| Synonym | Source |
|---|---|
| SAR-548304 FREE ACID | ChEMBL |