EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H18NO3S |
| Net Charge | +1 |
| Average Mass | 280.369 |
| Monoisotopic Mass | 280.10019 |
| SMILES | Cc1ccc2c(C)cc[n+](CCCS(=O)(=O)O)c2c1 |
| InChI | InChI=1S/C14H17NO3S/c1-11-4-5-13-12(2)6-8-15(14(13)10-11)7-3-9-19(16,17)18/h4-6,8,10H,3,7,9H2,1-2H3/p+1 |
| InChIKey | KXQUCGNMIIJFLD-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4,7-dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid (CHEBI:113024) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24434 | LINCS |