EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13N3O3S |
| Net Charge | 0 |
| Average Mass | 327.365 |
| Monoisotopic Mass | 327.06776 |
| SMILES | CC(=O)N1C(=N)SC(=Cc2cc3ccc(C)cc3nc2=O)C1=O |
| InChI | InChI=1S/C16H13N3O3S/c1-8-3-4-10-6-11(14(21)18-12(10)5-8)7-13-15(22)19(9(2)20)16(17)23-13/h3-7,17H,1-2H3,(H,18,21) |
| InChIKey | RMCQSAVULQTLFU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-acetyl-2-imino-5-[(7-methyl-2-oxo-1H-quinolin-3-yl)methylidene]-4-thiazolidinone (CHEBI:94143) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4756 | LINCS |