CHEBI:17405 - 4-pyridoxic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-pyridoxic acid
ChEBI ID CHEBI:17405
Definition A methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1928, CHEBI:20474
Supplier Information
Download Molfile XML SDF
Formula C8H9NO4
Net Charge 0
Average Mass 183.16140
Monoisotopic Mass 183.053
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)
InChIKey HXACOUQIXZGNBF-UHFFFAOYSA-N
SMILES Cc1ncc(CO)c(C(O)=O)c1O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
B vitamin
Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
(via vitamin B6 )
Application(s): B vitamin
Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
(via vitamin B6 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-pyridoxic acid (CHEBI:17405) has functional parent isonicotinic acid (CHEBI:6032)
4-pyridoxic acid (CHEBI:17405) has role human metabolite (CHEBI:77746)
4-pyridoxic acid (CHEBI:17405) has role mouse metabolite (CHEBI:75771)
4-pyridoxic acid (CHEBI:17405) is a hydroxymethylpyridine (CHEBI:38196)
4-pyridoxic acid (CHEBI:17405) is a methylpyridines (CHEBI:25340)
4-pyridoxic acid (CHEBI:17405) is a monohydroxypyridine (CHEBI:38182)
4-pyridoxic acid (CHEBI:17405) is a vitamin B6 (CHEBI:27306)
4-pyridoxic acid (CHEBI:17405) is conjugate acid of 4-pyridoxate (CHEBI:30959)
Incoming 4-pyridoxolactone (CHEBI:16871) has functional parent 4-pyridoxic acid (CHEBI:17405)
4-pyridoxate (CHEBI:30959) is conjugate base of 4-pyridoxic acid (CHEBI:17405)
IUPAC Name
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
Synonyms Sources
2-methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine ChemIDplus
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid ChEBI
4-Pyridoxate KEGG COMPOUND
4-Pyridoxic acid KEGG COMPOUND
4-pyridoxinecarboxylic acid ChemIDplus
4-pyridoxinic acid ChemIDplus
4-pyridoxylic acid ChemIDplus
pyridoxic acid ChemIDplus
Database Links Databases
C00847 KEGG COMPOUND
CPD-1112 MetaCyc
HMDB0000017 HMDB
View more database links
Registry Numbers Types Sources
384006 Reaxys Registry Number Reaxys
384006 Beilstein Registry Number Beilstein
82-82-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22770225 PubMed citation Europe PMC
2580028 PubMed citation Europe PMC
8505768 PubMed citation Europe PMC
Last Modified
09 September 2016