EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H20N4O5 |
| Net Charge | 0 |
| Average Mass | 444.447 |
| Monoisotopic Mass | 444.14337 |
| SMILES | Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1 |
| InChI | InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32) |
| InChIKey | BJCKKLXERBMNHP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[2-[[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxo-4-imidazolidinylidene]methyl]-1-pyrrolyl]benzoic acid (CHEBI:114258) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25718 | LINCS |