EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H36N2O5S |
| Net Charge | 0 |
| Average Mass | 536.694 |
| Monoisotopic Mass | 536.23449 |
| SMILES | Cc1cccc(S(=O)(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 |
| InChI | InChI=1S/C30H36N2O5S/c1-21-10-9-12-25(16-21)38(35,36)31(4)18-29-22(2)17-32(23(3)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-11-24(26)20-37-29/h5-16,22-23,29,33H,17-20H2,1-4H3/t22-,23+,29+/m0/s1 |
| InChIKey | KPHBSGLTBSWVOZ-QFWOEDSFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30893 (CHEBI:119444) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30893 | LINCS |