CHEBI:16409 - 5-pyridoxic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 5-pyridoxic acid ChEBI ID CHEBI:16409 Definition A pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1525 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H9NO4 Net Charge 0 Average Mass 183.16140 Monoisotopic Mass 183.05316 InChI InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13) InChIKey VJZTVPVXKYQRJZ-UHFFFAOYSA-N SMILES Cc1ncc(C(O)=O)c(CO)c1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 5-pyridoxic acid (CHEBI:16409) has functional parent nicotinic acid (CHEBI:15940) 5-pyridoxic acid (CHEBI:16409) has role human urinary metabolite (CHEBI:84087) 5-pyridoxic acid (CHEBI:16409) is a hydroxymethylpyridine (CHEBI:38196) 5-pyridoxic acid (CHEBI:16409) is a methylpyridines (CHEBI:25340) 5-pyridoxic acid (CHEBI:16409) is a monohydroxypyridine (CHEBI:38182) 5-pyridoxic acid (CHEBI:16409) is a pyridinemonocarboxylic acid (CHEBI:26420) 5-pyridoxic acid (CHEBI:16409) is conjugate acid of 5-pyridoxate (CHEBI:30960) Incoming 5-pyridoxolactone (CHEBI:2124) has functional parent 5-pyridoxic acid (CHEBI:16409) 5-pyridoxate (CHEBI:30960) is conjugate base of 5-pyridoxic acid (CHEBI:16409) IUPAC Name 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid Synonyms Sources 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid ChemIDplus 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinic acid ChEBI 5-Pyridoxic acid KEGG COMPOUND 5-pyridoxic acid ChemIDplus Manual Xref Database C04773 KEGG COMPOUND View more database links Registry Numbers Types Sources 162958 Reaxys Registry Number Reaxys 162958 Beilstein Registry Number Beilstein 524-07-2 CAS Registry Number ChemIDplus Citations Types Sources 13610871 PubMed citation Europe PMC FNI91003265 Agricola citation Europe PMC Last Modified 12 February 2015