EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27FN2O3 |
| Net Charge | 0 |
| Average Mass | 386.467 |
| Monoisotopic Mass | 386.20057 |
| SMILES | CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)COC |
| InChI | InChI=1S/C22H27FN2O3/c1-3-25(21(27)14-28-2)12-19-22(20(13-26)24-19)17-6-4-15(5-7-17)16-8-10-18(23)11-9-16/h4-11,19-20,22,24,26H,3,12-14H2,1-2H3/t19-,20+,22-/m0/s1 |
| InChIKey | JTUOZIKDJHIQCB-VWPQPMDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-ethyl-N-[[(2R,3S,4S)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide (CHEBI:127499) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39057 | LINCS |