EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27FN2O5S |
| Net Charge | 0 |
| Average Mass | 450.532 |
| Monoisotopic Mass | 450.16247 |
| SMILES | C[C@@H](NC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 |
| InChI | InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20+,21-/m1/s1 |
| InChIKey | YLLZUOSUTCBCJJ-WUHBCXKYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:101457) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12820 | LINCS |