EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H25FN2O5S |
| Net Charge | 0 |
| Average Mass | 388.461 |
| Monoisotopic Mass | 388.14682 |
| SMILES | CCS(=O)(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(F)cc2)O[C@@H]1CO |
| InChI | InChI=1S/C17H25FN2O5S/c1-2-26(23,24)20-15-8-7-14(25-16(15)11-21)9-17(22)19-10-12-3-5-13(18)6-4-12/h3-6,14-16,20-21H,2,7-11H2,1H3,(H,19,22)/t14-,15-,16+/m0/s1 |
| InChIKey | AXKSOFKOICMKIG-HRCADAONSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-[(4-fluorophenyl)methyl]acetamide (CHEBI:119081) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30530 | LINCS |