EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H9NO2S |
| Net Charge | 0 |
| Average Mass | 231.276 |
| Monoisotopic Mass | 231.03540 |
| SMILES | O=C(O)c1ccc(/N=C/c2cccs2)cc1 |
| InChI | InChI=1S/C12H9NO2S/c14-12(15)9-3-5-10(6-4-9)13-8-11-2-1-7-16-11/h1-8H,(H,14,15)/b13-8+ |
| InChIKey | NFKOTVHQEVUACX-MDWZMJQESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | liver (BTO:0000759) | MetaboLights (MTBLS4163) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(2-thienylmethylidene)amino]benzoic acid (CHEBI:190656) is a benzoic acids (CHEBI:22723) |
| IUPAC Name |
|---|
| 4-(thiophen-2-ylmethylideneamino)benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 26461838 | ChemSpider |