EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N2O5S |
| Net Charge | 0 |
| Average Mass | 432.542 |
| Monoisotopic Mass | 432.17189 |
| SMILES | CCS(=O)(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO |
| InChI | InChI=1S/C22H28N2O5S/c1-2-30(27,28)24-20-13-12-19(29-21(20)15-25)14-22(26)23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19-21,24-25H,2,12-15H2,1H3,(H,23,26)/t19-,20-,21-/m1/s1 |
| InChIKey | DNFBTYFNFJSDKD-NJDAHSKKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide (CHEBI:118905) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30354 | LINCS |