EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:30959 - 4-pyridoxate
| Formula | C8H8NO4 |
| Net Charge | -1 |
| Average Mass | 182.155 |
| Monoisotopic Mass | 182.04588 |
| SMILES | Cc1ncc(CO)c(C(=O)[O-])c1O |
| InChI | InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/p-1 |
| InChIKey | HXACOUQIXZGNBF-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. |
| Application: | nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-pyridoxate (CHEBI:30959) has functional parent isonicotinate (CHEBI:38186) |
| 4-pyridoxate (CHEBI:30959) has role human metabolite (CHEBI:77746) |
| 4-pyridoxate (CHEBI:30959) is a pyridoxate (CHEBI:132948) |
| 4-pyridoxate (CHEBI:30959) is a vitamin B6 (CHEBI:27306) |
| 4-pyridoxate (CHEBI:30959) is conjugate base of 4-pyridoxic acid (CHEBI:17405) |
| Incoming Relation(s) |
| 4-pyridoxic acid (CHEBI:17405) is conjugate acid of 4-pyridoxate (CHEBI:30959) |
| IUPAC Name |
|---|
| 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate |
| Synonyms | Source |
|---|---|
| 4-pyridoxinate | ChEBI |
| 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinate | ChEBI |
| 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate | ChEBI |
| 4-pyridoxylate | ChEBI |
| UniProt Name | Source |
|---|---|
| 4-pyridoxate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-1112 | MetaCyc |
| Citations |
|---|