EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N4O5 |
| Net Charge | 0 |
| Average Mass | 428.489 |
| Monoisotopic Mass | 428.20597 |
| SMILES | COc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)NCc3ccccn3)O[C@@H]2CO)cc1 |
| InChI | InChI=1S/C22H28N4O5/c1-30-17-7-5-15(6-8-17)25-22(29)26-19-10-9-18(31-20(19)14-27)12-21(28)24-13-16-4-2-3-11-23-16/h2-8,11,18-20,27H,9-10,12-14H2,1H3,(H,24,28)(H2,25,26,29)/t18-,19-,20+/m0/s1 |
| InChIKey | GEVYJHFWGQLEQA-SLFFLAALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide (CHEBI:123499) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34941 | LINCS |