EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H29N3O2 |
| Net Charge | 0 |
| Average Mass | 379.504 |
| Monoisotopic Mass | 379.22598 |
| SMILES | O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1ccncc1 |
| InChI | InChI=1S/C23H29N3O2/c27-16-21-22(18-8-2-1-3-9-18)20(26(21)15-17-6-4-5-7-17)14-25-23(28)19-10-12-24-13-11-19/h1-3,8-13,17,20-22,27H,4-7,14-16H2,(H,25,28)/t20-,21+,22+/m1/s1 |
| InChIKey | XOPCKECUHROKNF-FSSWDIPSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide (CHEBI:130497) is a azetidines (CHEBI:38777) |
| N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide (CHEBI:130497) is a benzenes (CHEBI:22712) |
| N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-pyridinecarboxamide (CHEBI:130497) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42046 | LINCS |