Kynurenine
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Kynurenine
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CAS No:
343-65-7
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Formula:
C10H12N2O3
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Chemical Name:
Kynurenine
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Synonyms:
Benzenebutanoic acid,α,2-diamino-γ-oxo-;Alanine,3-anthraniloyl-;α,2-Diamino-γ-oxobenzenebutanoic acid;3-Anthraniloylalanine;Kynurenine;Kynurenin;DL-Kynurenine;(±)-Kynurenine;dl-Kynurenine;3-Anthraniloyl-DL-alanine;2-Amino-4-(2-aminophenyl)-4-oxobutanoicacid;3039-10-9
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CAS No:
Description
ChEBI: A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.
Kynurenine is a ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. It has a role as a human metabolite. It is a substituted aniline, an aromatic ketone and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a kynureninate.|A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.
Characteristics
106.41000
1.09
1.3±0.1 g/cm3
191 °C (decomp)
466.6±45.0 °C at 760 mmHg
236.0±28.7 °C
1.626
151.07 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|149.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|149.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|152.8 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|153.1 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|146 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]|149.6 Ų [M+H]+
Kynurenine Use and Manufacturing
A tryptophan metabolite, is a precursor of kynurenic acid, which is an antagonist of N-methyl-aspartate receptor. An amino acid produced in the body from tryptophan vasodilator, immunomodulator
Computed Properties
Molecular Weight:208.21
XLogP3:-2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:208.08479225
Monoisotopic Mass:208.08479225
Topological Polar Surface Area:106
Heavy Atom Count:15
Complexity:255
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes