EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H29N3O2 |
| Net Charge | 0 |
| Average Mass | 391.515 |
| Monoisotopic Mass | 391.22598 |
| SMILES | CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1 |
| InChI | InChI=1S/C24H29N3O2/c1-2-27(24(29)20-8-5-13-25-14-20)15-21-23(22(16-28)26-21)19-11-9-18(10-12-19)17-6-3-4-7-17/h5-6,8-14,21-23,26,28H,2-4,7,15-16H2,1H3/t21-,22-,23+/m0/s1 |
| InChIKey | OBYQZMKDECEVCN-RJGXRXQPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide (CHEBI:128282) is a azetidines (CHEBI:38777) |
| N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide (CHEBI:128282) is a benzenes (CHEBI:22712) |
| N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide (CHEBI:128282) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39837 | LINCS |