EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H10N2O3S |
| Net Charge | 0 |
| Average Mass | 286.312 |
| Monoisotopic Mass | 286.04121 |
| SMILES | COC(=O)c1csc(C(=O)c2cnc3ccccc23)n1 |
| InChI | InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3 |
| InChIKey | KDDXOGDIPZSCTM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester (CHEBI:93059) is a indolyl carboxylic acid (CHEBI:46867) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3345 | LINCS |