EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H33FN2O5S |
| Net Charge | 0 |
| Average Mass | 540.657 |
| Monoisotopic Mass | 540.20942 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F |
| InChI | InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m1/s1 |
| InChIKey | QWRJLEHIBFFHOL-BUEREQSYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-8545 (CHEBI:97166) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8545 | LINCS |