Record Information
Version1.0
Creation date2015-10-09 22:30:16 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000371
FoodDB RecordFDB022181
Chemical Information
NameL-Kynurenine
DescriptionKynurenine is a metabolite of the amino acid tryptophan used in the production of niacin. L-kynurenine is a central compound of the pathway of tryptophan metabolism pathway since it can change to the neuroprotective agent kynurenic acid or to the neurotoxic agent quinolinic acid. The break-up of these endogenous compounds' balance can be observable in many disorders. It can occur in neurodegenerative disorders, such as Parkinson's disease, Huntington's and Alzheimer's disease, in stroke, in epilepsy, in multiple sclerosis, in amyotrophic lateral sclerosis, and in mental failures, such as schizophrenia and depression. [HMDB]
CAS Number2922-83-0
Structure
Thumb
Synonyms
SynonymSource
(2S)-2-amino-4-(2-Aminophenyl)-4-oxobutanoateGenerator
(2S)-2-amino-4-(2-Aminophenyl)-4-oxobutanoic acidChEBI
(alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoatehmdb
(alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acidhmdb
(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoatehmdb
(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acidhmdb
3-(3-Hydroxyanthraniloyl)-L-alanineHMDB
3-anthraniloyl-Alaninehmdb
3-anthraniloyl-L-alaninehmdb
3-Anthraniloylalaninehmdb
3-Hydroxy-L-kynurenineHMDB
alpha,2-diamino-gamma-oxo-Benzenebutanoatehmdb
alpha,2-diamino-gamma-oxo-Benzenebutanoic acidhmdb
dl-Kynureninehmdb
DL-Kynureninefree basehmdb
Kynureninhmdb
KYNURENINEChEBI
Quinureninehmdb
Chemical FormulaC10H12N2O3
IUPAC name(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
InChI IdentifierInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChI KeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
Isomeric SMILESN[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
Average Molecular Weight208.2139
Monoisotopic Molecular Weight208.08479226
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Butyrophenone
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Benzoyl
  • Gamma-keto acid
  • Aniline or substituted anilines
  • Aryl alkyl ketone
  • Monocyclic benzene moiety
  • Beta-aminoketone
  • Keto acid
  • Benzenoid
  • Vinylogous amide
  • Amino acid
  • Amino acid or derivatives
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Primary aliphatic amine
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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
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 E641
Cayman Chemical 11305
MetaSci HMDB0000684
Sigma-Aldrich HMDB0000684
Toronto Research Chemicals K661005