EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H25FN2O5S |
| Net Charge | 0 |
| Average Mass | 400.472 |
| Monoisotopic Mass | 400.14682 |
| SMILES | O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1)NC1CCC1 |
| InChI | InChI=1S/C18H25FN2O5S/c19-12-4-7-15(8-5-12)27(24,25)21-16-9-6-14(26-17(16)11-22)10-18(23)20-13-2-1-3-13/h4-5,7-8,13-14,16-17,21-22H,1-3,6,9-11H2,(H,20,23)/t14-,16+,17-/m1/s1 |
| InChIKey | NFGCCTFMVYXSBN-HYVNUMGLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cyclobutyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide (CHEBI:124907) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36349 | LINCS |