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CHEBI:18386 - quinaldic acid
| Formula | C10H7NO2 |
| Net Charge | 0 |
| Average Mass | 173.171 |
| Monoisotopic Mass | 173.04768 |
| SMILES | O=C(O)c1ccc2ccccc2n1 |
| InChI | InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) |
| InChIKey | LOAUVZALPPNFOQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (23801834) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quinaldic acid (CHEBI:18386) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| quinaldic acid (CHEBI:18386) has role human metabolite (CHEBI:77746) |
| quinaldic acid (CHEBI:18386) is a quinolinemonocarboxylic acid (CHEBI:26512) |
| quinaldic acid (CHEBI:18386) is conjugate acid of quinaldate (CHEBI:19775) |
| Incoming Relation(s) |
| quinaldate (CHEBI:19775) is conjugate base of quinaldic acid (CHEBI:18386) |
| IUPAC Name |
|---|
| quinoline-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 2-Quinolinecarboxylic acid | KEGG COMPOUND |
| Quinaldinic acid | KEGG COMPOUND |
| Quinaldic acid | KEGG COMPOUND |
| 2-Quinolinecarboxylate | KEGG COMPOUND |
| Quinaldate | KEGG COMPOUND |
| quinoline-2-carboxylic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C06325 | KEGG COMPOUND |
| DB02428 | DrugBank |
| HMDB0000842 | HMDB |
| Citations |
|---|