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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
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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
View more database links
Registry Numbers
Types
Sources
383768
Reaxys Registry Number
Reaxys
66-72-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13702476
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
5769992
PubMed citation
Europe PMC
Last Modified
13 November 2017