EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26FN3O5S |
| Net Charge | 0 |
| Average Mass | 427.498 |
| Monoisotopic Mass | 427.15772 |
| SMILES | CN1CCN(C(=O)C[C@@H]2C=C[C@@H](NS(=O)(=O)c3cccc(F)c3)[C@@H](CO)O2)CC1 |
| InChI | InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17+,18+/m0/s1 |
| InChIKey | BAJOMULNWMTCGT-CGTJXYLNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide (CHEBI:98274) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9653 | LINCS |