EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H31F3N4O4 |
| Net Charge | 0 |
| Average Mass | 520.552 |
| Monoisotopic Mass | 520.22974 |
| SMILES | CC=Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)O2 |
| InChI | InChI=1S/C26H31F3N4O4/c1-5-6-18-11-21-23(30-12-18)37-22(16(2)13-33(24(21)35)17(3)15-34)14-32(4)25(36)31-20-9-7-19(8-10-20)26(27,28)29/h5-12,16-17,22,34H,13-15H2,1-4H3,(H,31,36)/t16-,17+,22-/m0/s1 |
| InChIKey | IWGSBFJITLKYDC-JKSBSHDWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38035 (CHEBI:126471) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38035 | LINCS |