EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N3O3 |
| Net Charge | 0 |
| Average Mass | 271.276 |
| Monoisotopic Mass | 271.09569 |
| SMILES | COC1=CC(=O)C(=CNNC(=O)c2ccccn2)C=C1 |
| InChI | InChI=1S/C14H13N3O3/c1-20-11-6-5-10(13(18)8-11)9-16-17-14(19)12-4-2-3-7-15-12/h2-9,16H,1H3,(H,17,19) |
| InChIKey | PPSOPOCLBUXTOR-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) |
| N'-[(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-pyridinecarbohydrazide (CHEBI:125232) is a aromatic carboxylic acid (CHEBI:33859) |
| N'-[(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-pyridinecarbohydrazide (CHEBI:125232) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36700 | LINCS |