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CHEBI:38186 - isonicotinate

ChEBI IDCHEBI:38186
ChEBI Nameisonicotinate
Stars
DefinitionA pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid.
Last Modified16 January 2025
DownloadsMolfile
FormulaC6H4NO2
Net Charge-1
Average Mass122.103
Monoisotopic Mass122.02475
SMILESO=C([O-])c1ccncc1
InChIInChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p-1
InChIKeyTWBYWOBDOCUKOW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
isonicotinate (CHEBI:38186) is a pyridinemonocarboxylate (CHEBI:38181)
isonicotinate (CHEBI:38186) is conjugate base of isonicotinic acid (CHEBI:6032)
Incoming Relation(s)
4-pyridoxate (CHEBI:30959) has functional parent isonicotinate (CHEBI:38186)
isonicotinic acid (CHEBI:6032) is conjugate acid of isonicotinate (CHEBI:38186)
IUPAC Name 
pyridine-4-carboxylate
Synonyms  Source
4-picolinateMetaCyc
4-pyridinecarboxylateMetaCyc
γ-picolinateMetaCyc
UniProt Name  Source
isonicotinateUniProt
Manual XrefsDatabases
CPD-13335MetaCyc