EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30FN3O6S |
| Net Charge | 0 |
| Average Mass | 459.540 |
| Monoisotopic Mass | 459.18393 |
| SMILES | O=C(CN1CCOCC1)NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 |
| InChI | InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19-/m1/s1 |
| InChIKey | JNXYUDJSGYXBCY-BHIYHBOVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide (CHEBI:100640) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12014 | LINCS |