EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:108082 - 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid
| Formula | C18H17NO4S |
| Net Charge | 0 |
| Average Mass | 343.404 |
| Monoisotopic Mass | 343.08783 |
| SMILES | O=C(O)CCSCCCN1C(=O)c2cccc3cccc(c23)C1=O |
| InChI | InChI=1S/C18H17NO4S/c20-15(21)8-11-24-10-3-9-19-17(22)13-6-1-4-12-5-2-7-14(16(12)13)18(19)23/h1-2,4-7H,3,8-11H2,(H,20,21) |
| InChIKey | GTKXGZUMBCLIJE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid (CHEBI:108082) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19459 | LINCS |