EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27FN2O6S |
| Net Charge | 0 |
| Average Mass | 466.531 |
| Monoisotopic Mass | 466.15739 |
| SMILES | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NCc3ccccc3F)O[C@H]2CO)cc1 |
| InChI | InChI=1S/C22H27FN2O6S/c1-30-16-6-9-18(10-7-16)32(28,29)25-20-11-8-17(31-21(20)14-26)12-22(27)24-13-15-4-2-3-5-19(15)23/h2-7,9-10,17,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t17-,20+,21+/m1/s1 |
| InChIKey | BEKOLHWPUBERJD-QMMLZNLJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide (CHEBI:118397) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29846 | LINCS |