EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33N3O3 |
| Net Charge | 0 |
| Average Mass | 387.524 |
| Monoisotopic Mass | 387.25219 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)CN2CCOCC2)cc1 |
| InChI | InChI=1S/C22H33N3O3/c1-3-5-17-6-8-18(9-7-17)22-19(23-20(22)16-26)14-25(4-2)21(27)15-24-10-12-28-13-11-24/h3,5-9,19-20,22-23,26H,4,10-16H2,1-2H3/t19-,20-,22+/m1/s1 |
| InChIKey | NYIRBEWLHVXNKD-SJBKTWHCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41448 (CHEBI:129897) is a azetidines (CHEBI:38777) |
| LSM-41448 (CHEBI:129897) is a benzenes (CHEBI:22712) |
| LSM-41448 (CHEBI:129897) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41448 | LINCS |