EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H30FN3O3 |
| Net Charge | 0 |
| Average Mass | 439.531 |
| Monoisotopic Mass | 439.22712 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2N1CCC |
| InChI | InChI=1S/C25H30FN3O3/c1-3-5-17-8-11-20-23-22(24(31)27-13-16-6-9-18(26)10-7-16)19(15-30)21(28(23)12-4-2)14-29(20)25(17)32/h3,5-11,19,21-23,30H,4,12-15H2,1-2H3,(H,27,31)/t19-,21-,22+,23+/m1/s1 |
| InChIKey | USKAOISCUCDLDP-LGKPFJOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14635 (CHEBI:103291) is a pyrrolidinecarboxamide (CHEBI:46770) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14635 | LINCS |