FComEx: Nicotinuric acid (PC000588)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:25 UTC

Update date

2017-01-19 02:36:29 UTC

FoodComEx ID

PC000588

FoodDB Record

FDB023135

Chemical Information

Name

Nicotinuric acid

Description

Nicotinuric acid is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine Nicotinuric acid is the major detoxification product of nicotinic acid. It may serve as a simple quantitative index of hepatic biotransformation of nicotinic acid.(PMID: 3243933) [HMDB]

CAS Number

583-08-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
N-(3-pyridinylcarbonyl)-(9CI)-glycine	hmdb
N-(3-pyridinylcarbonyl)-glycine	hmdb
N-(Pyridin-3-ylcarbonyl)glycine	hmdb
N-nicotinoyl-(8CI)-Glycine	hmdb
N-nicotinoyl-Glycine	hmdb
N-Nicotinurate	hmdb
N-Nicotinuric acid	hmdb
N-Nicotinylglycine	hmdb
Nicotinic acid	Generator
Nicotinoyl-glycine	hmdb
Nicotinoylglycine	hmdb
Nicotinurate	hmdb
Nicotinylglycine	hmdb

Chemical Formula

C8H8N2O3

IUPAC name

2-[(pyridin-3-yl)formamido]acetic acid

InChI Identifier

InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)

InChI Key

ZBSGKPYXQINNGF-UHFFFAOYSA-N

Isomeric SMILES

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

Average Molecular Weight

180.1607

Monoisotopic Molecular Weight

180.053492132

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents