EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25N3O3 |
| Net Charge | 0 |
| Average Mass | 391.471 |
| Monoisotopic Mass | 391.18959 |
| SMILES | O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccn1 |
| InChI | InChI=1S/C23H25N3O3/c27-13-19-20(16-7-2-1-3-8-16)23(14-25(15-23)21(28)17-9-6-10-17)26(19)22(29)18-11-4-5-12-24-18/h1-5,7-8,11-12,17,19-20,27H,6,9-10,13-15H2/t19-,20+/m0/s1 |
| InChIKey | BMHXABSJKWWWIL-VQTJNVASSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:129453) is a azetidines (CHEBI:38777) |
| cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:129453) is a benzenes (CHEBI:22712) |
| cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone (CHEBI:129453) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41004 | LINCS |