EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20F3N3O4 |
| Net Charge | 0 |
| Average Mass | 399.369 |
| Monoisotopic Mass | 399.14059 |
| SMILES | O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)C1CC1 |
| InChI | InChI=1S/C18H20F3N3O4/c19-18(20,21)8-22-16(27)15-11(7-25)10-6-23-12(2-1-3-13(23)26)14(10)24(15)17(28)9-4-5-9/h1-3,9-11,14-15,25H,4-8H2,(H,22,27)/t10-,11-,14+,15-/m1/s1 |
| InChIKey | HYHGLNWEXAHCEQ-HKCMKHECSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101055) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12428 | LINCS |