CHEBI:17310 - pyridoxal

ChEBI IDCHEBI:17310
ChEBI Namepyridoxal
Stars
DefinitionA pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid.
Secondary ChEBI IDsCHEBI:8667, CHEBI:14976, CHEBI:26423, CHEBI:45112
Last Modified22 July 2021
DownloadsMolfile
FormulaC8H9NO3
Net Charge0
Average Mass167.164
Monoisotopic Mass167.05824
SMILES[H]C(=O)c1c(CO)cnc(C)c1O
InChIInChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
InChIKeyRADKZDMFGJYCBB-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1038/nbt.2488)
blood (UBERON:0000178) Article (Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.)
- MetaboLights (MTBLS20) From MetaboLights
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090)
- PubMed (19425150) Source: BioModels - MODEL1507180067
- MetaboLights (MTBLS376) From MetaboLights Strain: C57bl/6 mouse (NCIT:C14424)
Trypanosoma brucei (ncbitaxon:5691) - MetaboLights (MTBLS49) From MetaboLights
Daphnia pulex (ncbitaxon:6669) - MetaboLights (MTBLS259) From MetaboLights
Roles Classification
Biological Roles:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
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)
pyridoxal (CHEBI:17310) has role Escherichia coli metabolite (CHEBI:76971)
pyridoxal (CHEBI:17310) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
pyridoxal (CHEBI:17310) has role cofactor (CHEBI:23357)
pyridoxal (CHEBI:17310) has role human metabolite (CHEBI:77746)
pyridoxal (CHEBI:17310) has role mouse metabolite (CHEBI:75771)
pyridoxal (CHEBI:17310) is a hydroxymethylpyridine (CHEBI:38196)
pyridoxal (CHEBI:17310) is a methylpyridines (CHEBI:25340)
pyridoxal (CHEBI:17310) is a monohydroxypyridine (CHEBI:38182)
pyridoxal (CHEBI:17310) is a pyridinecarbaldehyde (CHEBI:38187)
pyridoxal (CHEBI:17310) is a vitamin B6 (CHEBI:27306)
pyridoxal (CHEBI:17310) is conjugate base of pyridoxal(1+) (CHEBI:131530)
Incoming Relation(s)
N-(5'-phosphopyridoxyl)-D-alanine (CHEBI:44743) has functional parent pyridoxal (CHEBI:17310)
N-(5'-phosphopyridoxyl)-L-alanine (CHEBI:44770) has functional parent pyridoxal (CHEBI:17310)
N2-(5'-phosphopyridoxyl)-L-lysine (CHEBI:44759) has functional parent pyridoxal (CHEBI:17310)
N6-(pyridoxal phosphate)-L-lysine (CHEBI:134066) has functional parent pyridoxal (CHEBI:17310)
N6-acetyl-N2-(5'-phosphopyridoxyl)-L-lysine (CHEBI:59767) has functional parent pyridoxal (CHEBI:17310)
pyridoxal 5'-phosphate (CHEBI:18405) has functional parent pyridoxal (CHEBI:17310)
pyridoxal(1+) (CHEBI:131530) is conjugate acid of pyridoxal (CHEBI:17310)
IUPAC Name 
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
Synonyms  Source
PyridoxalKEGG COMPOUND
pyridoxaldehydeChemIDplus
3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDEPDBeChem
UniProt Name  Source
pyridoxalUniProt
Manual XrefsDatabases
C00250KEGG COMPOUND
PXLPDBeChem
DB00147DrugBank
HMDB0001545HMDB
PYRIDOXALMetaCyc
PyridoxalWikipedia
C00007509KNApSAcK
4134DrugCentral
1021ChemSpider
Registry NumbersSources
Gmelin:218674Gmelin
Reaxys:383768Reaxys
CAS:66-72-8KEGG COMPOUND
CAS:66-72-8ChemIDplus
Citations