EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:121329 - 3-[(6-methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
| Formula | C14H15NO3S |
| Net Charge | 0 |
| Average Mass | 277.345 |
| Monoisotopic Mass | 277.07726 |
| SMILES | COc1ccc2nc(SCCC(=O)O)cc(C)c2c1 |
| InChI | InChI=1S/C14H15NO3S/c1-9-7-13(19-6-5-14(16)17)15-12-4-3-10(18-2)8-11(9)12/h3-4,7-8H,5-6H2,1-2H3,(H,16,17) |
| InChIKey | UXZCREZQFHJZLJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(6-methoxy-4-methyl-2-quinolinyl)thio]propanoic acid (CHEBI:121329) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32772 | LINCS |