FComEx: Xanthurenic acid (PC000025)

Record Information

Version

1.0

Creation date

2015-10-09 22:27:28 UTC

Update date

2017-01-19 02:36:10 UTC

FoodComEx ID

PC000025

FoodDB Record

FDB022297

Chemical Information

Name

Xanthurenic acid

Description

Xanthurenic acid is a metabolite from tryptophan catabolism. It is a substrate of the enzyme methyltransferases [EC 2.1.1.-] in pathway tryptophan metabolism (KEGG). [HMDB]

CAS Number

59-00-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
4-oxoxanthurenic acid	hmdb
4,8-Dihydroxy-2-quinolinecarboxylate	hmdb
4,8-Dihydroxy-2-quinolinecarboxylic acid	hmdb
4,8-dihydroxy-Quinaldate	hmdb
4,8-dihydroxy-Quinaldic acid	hmdb
4,8-Dihydroxyquinaldate	hmdb
4,8-Dihydroxyquinaldic acid	hmdb
4,8-Dihydroxyquinaldinate	hmdb
4,8-Dihydroxyquinaldinic acid	hmdb
4,8-Dihydroxyquinoline-2-carboxylate	hmdb
4,8-Dihydroxyquinoline-2-carboxylic acid	hmdb
8-Hydroxykynurenate	hmdb
8-Hydroxykynurenic acid	hmdb
oxoxanthurenate	hmdb
Xanthurate	hmdb
Xanthurenate	hmdb
Xanthuric acid	hmdb

Chemical Formula

C10H7NO4

IUPAC name

4,8-dihydroxyquinoline-2-carboxylic acid

InChI Identifier

InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)

InChI Key

FBZONXHGGPHHIY-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1

Average Molecular Weight

205.1669

Monoisotopic Molecular Weight

205.037507717

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinoline carboxylic acids

Direct Parent

Quinoline carboxylic acids

Alternative Parents