EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H37N3O5S |
| Net Charge | 0 |
| Average Mass | 515.676 |
| Monoisotopic Mass | 515.24539 |
| SMILES | Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 |
| InChI | InChI=1S/C27H37N3O5S/c1-18-8-12-22(13-9-18)36(33,34)28-24-7-5-6-23-26(24)35-25(16-29(4)15-21-10-11-21)19(2)14-30(27(23)32)20(3)17-31/h5-9,12-13,19-21,25,28,31H,10-11,14-17H2,1-4H3/t19-,20+,25-/m1/s1 |
| InChIKey | WCCXVJAFWRLDGB-OHUGHZGNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-23031 (CHEBI:111617) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23031 | LINCS |