EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22FN3O4 |
| Net Charge | 0 |
| Average Mass | 399.422 |
| Monoisotopic Mass | 399.15943 |
| SMILES | CC(=O)N1[C@@H]2c3cccc(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1F |
| InChI | InChI=1S/C21H22FN3O4/c1-12(27)25-19-14(10-24-17(19)7-4-8-18(24)28)15(11-26)20(25)21(29)23-9-13-5-2-3-6-16(13)22/h2-8,14-15,19-20,26H,9-11H2,1H3,(H,23,29)/t14-,15-,19+,20-/m1/s1 |
| InChIKey | JQQHJAYFWCMULB-XWYPRVOQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101665) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13028 | LINCS |