EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N3O4 |
| Net Charge | 0 |
| Average Mass | 383.448 |
| Monoisotopic Mass | 383.18451 |
| SMILES | COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccncc1 |
| InChI | InChI=1S/C21H25N3O4/c1-23(21(27)16-8-10-22-11-9-16)12-17-20(15-6-4-3-5-7-15)18(13-25)24(17)19(26)14-28-2/h3-11,17-18,20,25H,12-14H2,1-2H3/t17-,18-,20+/m1/s1 |
| InChIKey | GHQLUPTZEWPGCO-GGPKGHCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:128651) is a azetidines (CHEBI:38777) |
| N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:128651) is a benzenes (CHEBI:22712) |
| N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:128651) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40205 | LINCS |