CHEBI:30959 - 4-pyridoxate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-pyridoxate
ChEBI ID CHEBI:30959
Definition A pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12043, CHEBI:20473
Supplier Information
Download Molfile XML SDF
Formula C8H8NO4
Net Charge -1
Average Mass 182.15346
Monoisotopic Mass 182.04588
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
SMILES Cc1ncc(CO)c(C([O-])=O)c1O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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.
(via B vitamin )
Application(s): 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.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 4-pyridoxic acid (CHEBI:17405) is conjugate acid of 4-pyridoxate (CHEBI:30959)
IUPAC Name
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate
Synonyms Sources
3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate ChEBI
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinate ChEBI
4-pyridoxate UniProt
4-pyridoxinate ChEBI
4-pyridoxylate ChEBI
Manual Xref Database
CPD-1112 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
31442449 PubMed citation Europe PMC
31989305 PubMed citation Europe PMC
Last Modified
22 July 2021