| SpectraBase Spectrum ID |
BVmSgvpqcDH |
| Name |
Quinolinic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
18970-62-2
87314-99-6
89-00-9 |
| ChEBI ID |
16675 |
| Comments |
100 mM quinolinic acid - vendor: Eastman Kodak 2073; 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 |
C7H5NO4 |
| IUPAC Name |
pyridine-2,3-dicarboxylic acid |
| InChI |
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
| InChIKey |
GJAWHXHKYYXBSV-UHFFFAOYSA-N |
| KEGG Compound ID |
C03722 |
| KEGG Pathways |
PATH: map00380 Tryptophan metabolism
PATH: map00410 beta-Alanine metabolism
PATH: map00760 Nicotinate and nicotinamide metabolism |
| PubChem Compound ID |
1066 |
| SMILES |
C1=CC(=C(N=C1)C(=O)O)C(=O)O |
| Source File Reference |
bmse000219 |
