EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H33F3N2O5S |
| Net Charge | 0 |
| Average Mass | 590.664 |
| Monoisotopic Mass | 590.20623 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28-/m1/s1 |
| InChIKey | VUGFGKFGZUURHO-UMQWNRPGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-9941 (CHEBI:98562) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9941 | LINCS |