| SpectraBase Spectrum ID |
5dejbjSF51G |
| 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 |
