EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16946 - L-kynurenine

ChEBI IDCHEBI:16946
ChEBI NameL-kynurenine
Stars
ASCII NameL-kynurenine
DefinitionA kynurenine that has L configuration.
Secondary ChEBI IDsCHEBI:6258, CHEBI:13129, CHEBI:21346, CHEBI:43628
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H12N2O3
Net Charge0
Average Mass208.217
Monoisotopic Mass208.08479
SMILESNc1ccccc1C(=O)C[C@H](N)C(=O)O
InChIInChI=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
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
L-kynurenine (CHEBI:16946) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
L-kynurenine (CHEBI:16946) has role human metabolite (CHEBI:77746)
L-kynurenine (CHEBI:16946) has role mouse metabolite (CHEBI:75771)
L-kynurenine (CHEBI:16946) is a kynurenine (CHEBI:28683)
L-kynurenine (CHEBI:16946) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
L-kynurenine (CHEBI:16946) is conjugate acid of L-kynureninate (CHEBI:67010)
L-kynurenine (CHEBI:16946) is enantiomer of D-kynurenine (CHEBI:86262)
L-kynurenine (CHEBI:16946) is tautomer of L-kynurenine zwitterion (CHEBI:57959)
Incoming Relation(s)
N-formyl-L-kynurenine (CHEBI:30249) has functional parent L-kynurenine (CHEBI:16946)
L-kynureninate (CHEBI:67010) is conjugate base of L-kynurenine (CHEBI:16946)
D-kynurenine (CHEBI:86262) is enantiomer of L-kynurenine (CHEBI:16946)
L-kynurenine zwitterion (CHEBI:57959) is tautomer of L-kynurenine (CHEBI:16946)
IUPAC Name 
3-(2-aminobenzoyl)-L-alanine
Synonyms  Source
L-KynurenineKEGG COMPOUND
3-Anthraniloyl-L-alanineKEGG COMPOUND
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acidIUPAC
KYNURENINEPDBeChem
Manual XrefsDatabases
C00328KEGG COMPOUND
KYNPDBeChem
DB02070DrugBank
HMDB0000684HMDB
KynurenineWikipedia
CPD-14736MetaCyc
C00007604KNApSAcK
Registry NumbersSources
Reaxys:2942333Reaxys
CAS:2922-83-0KEGG COMPOUND
CAS:2922-83-0ChemIDplus
Citations