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> Main
CHEBI:16409 - 5-pyridoxic acid
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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
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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 (Br
o
nsted 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