EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27N3O6S |
| Net Charge | 0 |
| Average Mass | 461.540 |
| Monoisotopic Mass | 461.16206 |
| SMILES | COCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2S(=O)(=O)c1ccccc1C |
| InChI | InChI=1S/C22H27N3O6S/c1-14-6-3-4-8-18(14)32(29,30)25-17-12-24-16(7-5-9-19(24)27)21(25)20(15(17)13-26)22(28)23-10-11-31-2/h3-9,15,17,20-21,26H,10-13H2,1-2H3,(H,23,28)/t15-,17-,20+,21+/m0/s1 |
| InChIKey | MTAIFDHMXJWVCS-YHEJVBIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-9548 (CHEBI:98169) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9548 | LINCS |