isonicotinic acid (CHEBI:6032)

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ChEBI Name	isonicotinic acid

ChEBI ID	CHEBI:6032

Definition	A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H5NO2

Net Charge

Average Mass

123.10940

Monoisotopic Mass

123.03203

InChI

InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)

InChIKey

TWBYWOBDOCUKOW-UHFFFAOYSA-N

SMILES

OC(=O)c1ccncc1

Metabolite of Species	Details
Chlamydomonas reinhardtii (NCBI:txid3055)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	isonicotinic acid (CHEBI:6032) has role algal metabolite (CHEBI:84735) isonicotinic acid (CHEBI:6032) has role human metabolite (CHEBI:77746) isonicotinic acid (CHEBI:6032) is a pyridinemonocarboxylic acid (CHEBI:26420) isonicotinic acid (CHEBI:6032) is conjugate acid of isonicotinate (CHEBI:38186)

Incoming	2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid (CHEBI:40960) has functional parent isonicotinic acid (CHEBI:6032) 2-ethylisonicotinic acid (CHEBI:74682) has functional parent isonicotinic acid (CHEBI:6032) 4-pyridoxic acid (CHEBI:17405) has functional parent isonicotinic acid (CHEBI:6032) isoniazide (CHEBI:6030) has functional parent isonicotinic acid (CHEBI:6032) isonicotinamide (CHEBI:6031) has functional parent isonicotinic acid (CHEBI:6032) isonicotinate (CHEBI:38186) is conjugate base of isonicotinic acid (CHEBI:6032)

IUPAC Names

isonicotinic acid

pyridine-4-carboxylic acid

Last Modified

16 July 2015