EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25F2N3O3 |
| Net Charge | 0 |
| Average Mass | 429.467 |
| Monoisotopic Mass | 429.18640 |
| SMILES | O=C(NC1CCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2Cc1cc(F)ccc1F |
| InChI | InChI=1S/C23H25F2N3O3/c24-14-7-8-17(25)13(9-14)10-28-19-11-27-18(5-2-6-20(27)30)22(28)21(16(19)12-29)23(31)26-15-3-1-4-15/h2,5-9,15-16,19,21-22,29H,1,3-4,10-12H2,(H,26,31)/t16-,19-,21+,22+/m0/s1 |
| InChIKey | GICHBVCHVQBVRX-NTSGDEEZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-12589 (CHEBI:101220) is a pyrrolidinecarboxamide (CHEBI:46770) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12589 | LINCS |