EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26FN3O5S |
| Net Charge | 0 |
| Average Mass | 451.520 |
| Monoisotopic Mass | 451.15772 |
| SMILES | O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@@H]1CO |
| InChI | InChI=1S/C21H26FN3O5S/c22-15-4-3-6-18(12-15)31(28,29)24-11-9-17-7-8-19(20(14-26)30-17)25-21(27)13-16-5-1-2-10-23-16/h1-6,10,12,17,19-20,24,26H,7-9,11,13-14H2,(H,25,27)/t17-,19-,20-/m1/s1 |
| InChIKey | OMLBRAKSFMXGRQ-MISYRCLQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide (CHEBI:123546) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34988 | LINCS |