3-hydroxy-L-kynurenine (CHEBI:17380)

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ChEBI Name	3-hydroxy-L-kynurenine

ChEBI ID	CHEBI:17380

ChEBI ASCII Name	3-hydroxy-L-kynurenine

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11823, CHEBI:1530, CHEBI:20055

Supplier Information

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Formulae

C10H12N2O4
C10H12N2O4

Net Charge

Average Mass

224.216

Monoisotopic Mass

224.07971

InChI

InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1

InChIKey

VCKPUUFAIGNJHC-LURJTMIESA-N

SMILES

C1(C(C[C@@H](C(=O)O)N)=O)=CC=CC(=C1N)O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 3-hydroxykynurenine )

ChEBI Ontology
Outgoing	3-hydroxy-L-kynurenine (CHEBI:17380) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-hydroxy-L-kynurenine (CHEBI:17380) has role mouse metabolite (CHEBI:75771) 3-hydroxy-L-kynurenine (CHEBI:17380) is a 3-hydroxykynurenine (CHEBI:1547) 3-hydroxy-L-kynurenine (CHEBI:17380) is tautomer of 3-hydroxy-L-kynurenine zwitterion (CHEBI:58125)

Incoming	3-hydroxy-L-kynurenine zwitterion (CHEBI:58125) is tautomer of 3-hydroxy-L-kynurenine (CHEBI:17380)

IUPAC Name

3-(2-amino-3-hydroxybenzoyl)-L-alanine

Synonyms	Sources
(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid	IUPAC
3-(3-hydroxyanthraniloyl)-L-alanine	ChemIDplus
3-Hydroxy-L-kynurenine	KEGG COMPOUND
L-3-hydroxykynurenine	ChemIDplus

Registry Number	Type	Source
606-14-4	CAS Registry Number	ChemIDplus

Last Modified

21 November 2019