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> Main
CHEBI:68577 - 4-aminonicotinic acid
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ChEBI Name
4-aminonicotinic acid
ChEBI ID
CHEBI:68577
Definition
An aminonicotinic acid in which the amino group is situated at position 4 of the pyridine ring.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C6H6N2O2
Net Charge
0
Average Mass
138.12400
Monoisotopic Mass
138.04293
InChI
InChI=1S/C6H6N2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey
IASBMUIXBJNMDW-UHFFFAOYSA-N
SMILES
Nc1ccncc1C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
4-aminonicotinic acid (
CHEBI:68577
)
has functional parent
4-aminopyridine (
CHEBI:34385
)
4-aminonicotinic acid (
CHEBI:68577
)
has functional parent
nicotinic acid (
CHEBI:15940
)
4-aminonicotinic acid (
CHEBI:68577
)
has role
metabolite (
CHEBI:25212
)
4-aminonicotinic acid (
CHEBI:68577
)
is a
aminonicotinic acid (
CHEBI:73130
)
4-aminonicotinic acid (
CHEBI:68577
)
is a
aminopyridine (
CHEBI:38207
)
4-aminonicotinic acid (
CHEBI:68577
)
is a
aromatic amine (
CHEBI:33860
)
IUPAC Name
4-aminopyridine-3-carboxylic acid
Registry Numbers
Types
Sources
383676
Reaxys Registry Number
Reaxys
609-70-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
09 April 2013