SpectraBase Spectrum ID |
BCdipbZVPra |
Name |
Kynurenic acid |
Acquisition Mode |
SIMULTANEOUS |
CAS Registry Number |
13593-94-7; 492-27-3 |
ChEBI ID |
18344 |
Comments |
100 mM Kynurenic acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Data Source |
Madison Metabolomics Consortium |
Formula |
C10 H7 N O3 |
IUPAC Name |
4-oxo-1H-quinoline-2-carboxylic acid; 4-keto-1H-quinoline-2-carboxylic acid |
InChI |
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) |
InChIKey |
HCZHHEIFKROPDY-UHFFFAOYSA-N |
KEGG Compound ID |
C01717 |
KEGG Pathways |
PATH: ko00380 Tryptophan metabolism |
PubChem Compound ID |
3845 |
SMILES |
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O |
Source File Reference |
bmse000410 |