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> Main
CHEBI:50521 -
N
-methylnicotinic acid
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ChEBI Name
N
-methylnicotinic acid
ChEBI ID
CHEBI:50521
ChEBI ASCII Name
N-methylnicotinic acid
Definition
A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H8NO2
Net Charge
+1
Average Mass
138.14390
Monoisotopic Mass
138.05495
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-O
SMILES
C[n+]1cccc(c1)C(O)=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-methylnicotinic acid (
CHEBI:50521
)
has functional parent
nicotinic acid (
CHEBI:15940
)
N
-methylnicotinic acid (
CHEBI:50521
)
has role
plant metabolite (
CHEBI:76924
)
N
-methylnicotinic acid (
CHEBI:50521
)
is a
pyridinium ion (
CHEBI:50334
)
N
-methylnicotinic acid (
CHEBI:50521
)
is conjugate acid of
N
-methylnicotinate (
CHEBI:18123
)
Incoming
N
-methylnicotinate (
CHEBI:18123
)
is conjugate base of
N
-methylnicotinic acid (
CHEBI:50521
)
IUPAC Name
3-carboxy-1-methylpyridinium
Manual Xref
Database
HMDB0000875
HMDB
View more database links
Registry Number
Type
Source
3904771
Reaxys Registry Number
Reaxys
Last Modified
24 June 2014