EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17NO3S |
| Net Charge | 0 |
| Average Mass | 339.416 |
| Monoisotopic Mass | 339.09291 |
| SMILES | CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 |
| InChI | InChI=1S/C19H17NO3S/c1-13(21)14-4-6-15(7-5-14)20-16(9-11-19(22)23)8-10-17(20)18-3-2-12-24-18/h2-8,10,12H,9,11H2,1H3,(H,22,23) |
| InChIKey | VXZLRFFNODAIOP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid (CHEBI:109200) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20597 | LINCS |