| SpectraBase Spectrum ID |
5QLJIrVfU46 |
| 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 |
