EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H28FN3O5S |
| Net Charge | 0 |
| Average Mass | 417.503 |
| Monoisotopic Mass | 417.17337 |
| SMILES | CCCNC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@H]1CO |
| InChI | InChI=1S/C18H28FN3O5S/c1-2-9-20-18(24)22-16-7-6-14(27-17(16)12-23)8-10-21-28(25,26)15-5-3-4-13(19)11-15/h3-5,11,14,16-17,21,23H,2,6-10,12H2,1H3,(H2,20,22,24)/t14-,16-,17+/m1/s1 |
| InChIKey | QCWCRAHEENXEDE-OIISXLGYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2R,3R,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea (CHEBI:123608) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35050 | LINCS |