4-pyridoxic acid (CHEBI:17405)

ChEBI > Main

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	ChemicalBook:CB4451354, eMolecules:474983, ZINC000004228232

Download	Molfile XML SDF

Formula

C8H9NO4

Net Charge

Average Mass

183.16140

Monoisotopic Mass

183.05316

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:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. 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 )

ChEBI Ontology
Outgoing	4-pyridoxic acid (CHEBI:17405) has functional parent isonicotinic acid (CHEBI:6032) 4-pyridoxic acid (CHEBI:17405) has role human urinary metabolite (CHEBI:84087) 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-methyl-4-pyridinecarboxylic acid	ChemIDplus
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid	ChemIDplus
4-Pyridoxic acid	KEGG COMPOUND
4-pyridoxinecarboxylic acid	ChemIDplus
4-pyridoxinic acid	ChemIDplus
4-Pyridoxinsaeure	ChemIDplus
4-pyridoxylic acid	ChemIDplus
pyridoxic acid	ChemIDplus

Last Modified

22 July 2021