EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H27FN2O5S |
| Net Charge | 0 |
| Average Mass | 414.499 |
| Monoisotopic Mass | 414.16247 |
| SMILES | O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)N1CCCCC1 |
| InChI | InChI=1S/C19H27FN2O5S/c20-14-5-4-6-16(11-14)28(25,26)21-17-8-7-15(27-18(17)13-23)12-19(24)22-9-2-1-3-10-22/h4-6,11,15,17-18,21,23H,1-3,7-10,12-13H2/t15-,17+,18+/m0/s1 |
| InChIKey | KSBPLIKBKJINFF-CGTJXYLNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide (CHEBI:118315) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29764 | LINCS |