CHEBI:17889 - isopyridoxal

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ChEBI Name isopyridoxal
ChEBI ID CHEBI:17889
Definition A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6050, CHEBI:14477, CHEBI:24919
Supplier Information
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Formula C8H9NO3
Net Charge 0
Average Mass 167.16200
Monoisotopic Mass 167.05824
InChI InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3
InChIKey GNKXHPULSPWUAK-UHFFFAOYSA-N
SMILES Cc1ncc(C=O)c(CO)c1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isopyridoxal (CHEBI:17889) has role metabolite (CHEBI:25212)
isopyridoxal (CHEBI:17889) is a hydroxymethylpyridine (CHEBI:38196)
isopyridoxal (CHEBI:17889) is a methylpyridines (CHEBI:25340)
isopyridoxal (CHEBI:17889) is a monohydroxypyridine (CHEBI:38182)
isopyridoxal (CHEBI:17889) is a pyridinecarbaldehyde (CHEBI:38187)
IUPAC Name
5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde
Synonyms Sources
Isopyridoxal KEGG COMPOUND
isopyridoxal UniProt
Manual Xrefs Databases
C06051 KEGG COMPOUND
CPD-383 MetaCyc
HMDB0004290 HMDB
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Registry Numbers Types Sources
383768 Reaxys Registry Number Reaxys
66-72-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13702476 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
5769992 PubMed citation Europe PMC
Last Modified
13 November 2017