EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33N3O5 |
| Net Charge | 0 |
| Average Mass | 419.522 |
| Monoisotopic Mass | 419.24202 |
| SMILES | C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)c1ccccc1 |
| InChI | InChI=1S/C22H33N3O5/c1-16(17-5-3-2-4-6-17)23-21(27)13-18-7-8-19(20(15-26)30-18)24-22(28)14-25-9-11-29-12-10-25/h2-6,16,18-20,26H,7-15H2,1H3,(H,23,27)(H,24,28)/t16-,18+,19-,20-/m1/s1 |
| InChIKey | VZQKOZAJNGTVKC-GSEOLPGOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:118541) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29990 | LINCS |