EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:6032 - isonicotinic acid
| Formula | C6H5NO2 |
| Net Charge | 0 |
| Average Mass | 123.111 |
| Monoisotopic Mass | 123.03203 |
| SMILES | O=C(O)c1ccncc1 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) |
| InChIKey | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chlamydomonas reinhardtii (ncbitaxon:3055) | - | PubMed (25515814) |
| 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). algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isonicotinic acid (CHEBI:6032) has role algal metabolite (CHEBI:84735) |
| isonicotinic acid (CHEBI:6032) has role human metabolite (CHEBI:77746) |
| isonicotinic acid (CHEBI:6032) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| isonicotinic acid (CHEBI:6032) is conjugate acid of isonicotinate (CHEBI:38186) |
| Incoming Relation(s) |
| 2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid (CHEBI:40960) has functional parent isonicotinic acid (CHEBI:6032) |
| 2-ethylisonicotinic acid (CHEBI:74682) has functional parent isonicotinic acid (CHEBI:6032) |
| 4-pyridoxic acid (CHEBI:17405) has functional parent isonicotinic acid (CHEBI:6032) |
| isoniazide (CHEBI:6030) has functional parent isonicotinic acid (CHEBI:6032) |
| isonicotinamide (CHEBI:6031) has functional parent isonicotinic acid (CHEBI:6032) |
| isonicotinate (CHEBI:38186) is conjugate base of isonicotinic acid (CHEBI:6032) |
| IUPAC Names |
|---|
| isonicotinic acid |
| pyridine-4-carboxylic acid |
| Synonyms | Source |
|---|---|
| 4-carboxypyridine | NIST Chemistry WebBook |
| 4-pyridinecarboxylic acid | NIST Chemistry WebBook |
| p-pyridinecarboxylic acid | ChemIDplus |
| Isonicotinic acid | KEGG COMPOUND |
| γ-picolinic acid | NIST Chemistry WebBook |
| γ-pyridinecarboxylic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C07446 | KEGG COMPOUND |
| HMDB0060665 | HMDB |
| Isonicotinic_Acid | Wikipedia |
| Citations |
|---|