EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H31FN2O6S2 |
| Net Charge | 0 |
| Average Mass | 526.652 |
| Monoisotopic Mass | 526.16076 |
| SMILES | CC=Cc1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O |
| InChI | InChI=1S/C24H31FN2O6S2/c1-5-6-19-7-12-24-22(13-19)33-23(17(2)14-27(18(3)16-28)35(24,31)32)15-26(4)34(29,30)21-10-8-20(25)9-11-21/h5-13,17-18,23,28H,14-16H2,1-4H3/t17-,18+,23-/m0/s1 |
| InChIKey | PTEFBLKOTMQJFG-IXFSTUDKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-7159 (CHEBI:95780) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7159 | LINCS |