FComEx: Nicotinic acid (PC000282)

Record Information

Version

1.0

Creation date

2015-10-09 22:29:38 UTC

Update date

2017-01-19 02:36:19 UTC

FoodComEx ID

PC000282

FoodDB Record

FDB001014

Chemical Information

Name

Nicotinic acid

Description

Nicotinic acid, also known as niacin or 3-carboxypyridine, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. Nicotinic acid is a strong basic compound (based on its pKa). Nicotinic acid exists in all living species, ranging from bacteria to humans. nicotinic acid and ribose 1-phosphate can be biosynthesized from nicotinate D-ribonucleoside through its interaction with the enzyme purine nucleoside phosphorylase. In humans, nicotinic acid is involved in nicotinate and nicotinamide metabolism. Outside of the human body, Nicotinic acid is found, on average, in the highest concentration within a few different foods, such as beers, leavening agents, and yellowfin tuna and in a lower concentration in greater sturgeons, groundcherries, and muskmelons. Nicotinic acid has also been detected, but not quantified in, several different foods, such as chinese bayberries, pineappple sages, green vegetables, brassicas, and cupuaçus. This could make nicotinic acid a potential biomarker for the consumption of these foods. Nicotinic acid is a potentially toxic compound.

CAS Number

59-67-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
3-Carboxylpyridine	biospider
3-Carboxypyridine	biospider
3-Pyridinecarboxylate	biospider
3-Pyridinecarboxylic acid	ChEBI
3-Pyridylcarboxylate	biospider
3-Pyridylcarboxylic acid	biospider
Acide nicotinique	ChEBI
Acido nicotinico	ChEBI
Acidum nicotinicum	ChEBI
Akotin	HMDB
Anti-pellagra vitamin	ChEBI
Apelagrin	biospider
b-Pyridinecarboxylate	Generator
b-Pyridinecarboxylic acid	biospider
beta-Pyridinecarboxylate	Generator
beta-Pyridinecarboxylic acid	biospider
Daskil	biospider
Efacin	biospider
Enduracin	biospider
Linic	biospider
m-Pyridinecarboxylate	Generator
m-Pyridinecarboxylic acid	biospider
Niac	HMDB
Niacin	ChEBI
Niacin, USAN	db_source
Niacine	biospider
Niacor	HMDB
Niacor (TN)	biospider
Niaspan (TN)	biospider
Nicacid	biospider
Nicagin	biospider
Nicamin	db_source
Nicangin	biospider
Nico-Span	biospider
Nicobid	db_source
Nicocap	HMDB
Nicodelmine	biospider
Nicolar	biospider
Niconacid	biospider
Nicosan 3	biospider
Nicotinate	Generator
Nicotinic acid, INN	db_source
Nicotinipca	HMDB
Nicyl	biospider
Nikotinsaeure	ChEBI
Nyclin	biospider
P.P. factor	ChEBI
Pellagra preventive factor	ChEBI
Pellagrin	biospider
Pelonin	biospider
PP Factor	ChEBI
Pyridine-β-carboxylic acid	biospider
Pyridine-3-carbonic acid	biospider
Pyridine-3-carboxylic acid	biospider
Pyridine-b-carboxylate	Generator
Pyridine-b-carboxylic acid	Generator
Pyridine-beta-carboxylate	Generator
Pyridine-beta-carboxylic acid	biospider
Pyridine-β-carboxylate	Generator
Pyridine-β-carboxylic acid	Generator
Pyridinecarboxylic acid, 3-	biospider
Slo-niacin	HMDB
Vitamin b3	ChEBI
Vitamin B3 (Niacin)	manual
Vitamin PP (Niacin)	manual
Wampocap	db_source
β-pyridinecarboxylate	Generator
β-pyridinecarboxylic acid	Generator

Chemical Formula

C6H5NO2

IUPAC name

pyridine-3-carboxylic acid

InChI Identifier

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

InChI Key

PVNIIMVLHYAWGP-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=CN=CC=C1

Average Molecular Weight

123.1094

Monoisotopic Molecular Weight

123.032028409

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridinecarboxylic acids and derivatives

Direct Parent

Pyridinecarboxylic acids

Alternative Parents