EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H33N3O5S |
| Net Charge | 0 |
| Average Mass | 547.677 |
| Monoisotopic Mass | 547.21409 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1 |
| InChI | InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-38-29(21)18-32(3)39(36,37)25-14-12-23(16-31)13-15-25/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29+/m1/s1 |
| InChIKey | CPEICJXEUQBQMC-QLVXXPONSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30907 (CHEBI:119458) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30907 | LINCS |