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L-Kynurenine
SpectraBase Compound ID BAc0IoEwv8Y
InChI InChI=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
InChIKey YGPSJZOEDVAXAB-QMMMGPOBSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmyINqPMkWq
Name L-Kynurenine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 2922-83-0
ChEBI ID 16946
Comments 100 mM L-Kynurenine Sulfate - vendor: MP Biomedicals 102126; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10H12N2O3
IUPAC Name (2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid
InChI InChI=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
InChIKey YGPSJZOEDVAXAB-QMMMGPOBSA-N
KEGG Compound ID C00328
KEGG Pathways PATH: map00380 Tryptophan metabolism
PubChem Compound ID 161166
SMILES C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N
Source File Reference bmse000172