Record Information
Version1.0
Creation date2015-10-09 22:27:28 UTC
Update date2017-01-19 02:36:10 UTC
FoodComEx IDPC000025
FoodDB RecordFDB022297
Chemical Information
NameXanthurenic acid
DescriptionXanthurenic 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 Number59-00-7
Structure
Thumb
Synonyms
SynonymSource
4-oxoxanthurenic acidhmdb
4,8-Dihydroxy-2-quinolinecarboxylatehmdb
4,8-Dihydroxy-2-quinolinecarboxylic acidhmdb
4,8-dihydroxy-Quinaldatehmdb
4,8-dihydroxy-Quinaldic acidhmdb
4,8-Dihydroxyquinaldatehmdb
4,8-Dihydroxyquinaldic acidhmdb
4,8-Dihydroxyquinaldinatehmdb
4,8-Dihydroxyquinaldinic acidhmdb
4,8-Dihydroxyquinoline-2-carboxylatehmdb
4,8-Dihydroxyquinoline-2-carboxylic acidhmdb
8-Hydroxykynurenatehmdb
8-Hydroxykynurenic acidhmdb
oxoxanthurenatehmdb
Xanthuratehmdb
Xanthurenatehmdb
Xanthuric acidhmdb
Chemical FormulaC10H7NO4
IUPAC name4,8-dihydroxyquinoline-2-carboxylic acid
InChI IdentifierInChI=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 KeyFBZONXHGGPHHIY-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1
Average Molecular Weight205.1669
Monoisotopic Molecular Weight205.037507717
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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassQuinoline carboxylic acids
Direct ParentQuinoline carboxylic acids
Alternative Parents
Substituents
  • Quinoline-2-carboxylic acid
  • Dihydroquinolone
  • Hydroxyquinoline
  • 8-hydroxyquinoline
  • Dihydroquinoline
  • Pyridine carboxylic acid
  • Pyridine carboxylic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyridine
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 100 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 5527AH
Cayman Chemical 19191
MetaSci HMDB0000881
Sigma-Aldrich HMDB0000881
Toronto Research Chemicals X743500