EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H9NO3 |
| Net Charge | 0 |
| Average Mass | 263.252 |
| Monoisotopic Mass | 263.05824 |
| SMILES | C#CC#CC#C/C=C/C(=O)Nc1ccc(C(=O)O)cc1 |
| InChI | InChI=1S/C16H9NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h1,7-12H,(H,17,18)(H,19,20)/b8-7+ |
| InChIKey | ZMNUDGJNLWIUAJ-BQYQJAHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Baeospora myosura (ncbitaxon:139080) | - | PubMed (15568786) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2E-non-2-ene-4,6,8-triynoic acid p-aminobenzoic acid amide (CHEBI:206144) is a amidobenzoic acid (CHEBI:48470) |
| IUPAC Name |
|---|
| 4-[[(E)-non-2-en-4,6,8-triynoyl]amino]benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9566284 | ChemSpider |