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CHEBI:28747 - picolinic acid
| Formula | C6H5NO2 |
| Net Charge | 0 |
| Average Mass | 123.111 |
| Monoisotopic Mass | 123.03203 |
| SMILES | O=C(O)c1ccccn1 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
| InChIKey | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Application: | MALDI matrix material A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| picolinic acid (CHEBI:28747) has role human metabolite (CHEBI:77746) |
| picolinic acid (CHEBI:28747) has role MALDI matrix material (CHEBI:64345) |
| picolinic acid (CHEBI:28747) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| picolinic acid (CHEBI:28747) is conjugate acid of picolinate (CHEBI:38184) |
| Incoming Relation(s) |
| 5-(2'-carboxyethyl)-4,6-dihydroxypicolinic acid (CHEBI:86004) has functional parent picolinic acid (CHEBI:28747) |
| 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid (CHEBI:2010) has functional parent picolinic acid (CHEBI:28747) |
| 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid (CHEBI:16685) has functional parent picolinic acid (CHEBI:28747) |
| 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid (CHEBI:2012) has functional parent picolinic acid (CHEBI:28747) |
| aminopyralid (CHEBI:62962) has functional parent picolinic acid (CHEBI:28747) |
| clopyralid (CHEBI:62961) has functional parent picolinic acid (CHEBI:28747) |
| picloram (CHEBI:34922) has functional parent picolinic acid (CHEBI:28747) |
| picolinamide (CHEBI:8200) has functional parent picolinic acid (CHEBI:28747) |
| picolinate (CHEBI:38184) is conjugate base of picolinic acid (CHEBI:28747) |
| IUPAC Name |
|---|
| pyridine-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| Picolinic acid | KEGG COMPOUND |
| 2-Pyridinecarboxylic acid | KEGG COMPOUND |
| α-pyridinecarboxylic acid | NIST Chemistry WebBook |
| o-pyridinecarboxylic acid | NIST Chemistry WebBook |
| 2-carboxypyridine | NIST Chemistry WebBook |
| α-picolinic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C10164 | KEGG COMPOUND |
| 6PC | PDBeChem |
| Picolinic_acid | Wikipedia |
| PICOLINATE | MetaCyc |
| HMDB0002243 | HMDB |
| C00002063 | KNApSAcK |
| Citations |
|---|