| SpectraBase Spectrum ID |
F3tVPA2mXN5 |
| Name |
alpha-Ketoglutaric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
15303-07-8
17091-15-5
22202-68-2
27175-99-1
305-72-6
328-50-7
86248-59-1
997-43-3 |
| ChEBI ID |
30915 |
| Comments |
100 mM alpha-ketoglutaric acid disodium salt dihydrate - vendor: Fluka 75892; 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 |
C5H6O5 |
| IUPAC Name |
2-oxoglutaric acid; 2-oxopentanedioic acid |
| InChI |
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) |
| InChIKey |
KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| KEGG Compound ID |
C00026 |
| KEGG Pathways |
PATH: map00020 Citrate cycle (TCA cycle)
PATH: map00053 Ascorbate and aldarate metabolism
PATH: map00251 Glutamate metabolism
PATH: map00252 Alanine and aspartate metabolism
PATH: map00300 Lysine biosynthesis
PATH: map00340 Histidine metabolism
PATH: map00380 Tryptophan metabolism
PATH: map00471 D-Glutamine and D-glutamate metabolism
PATH: map00630 Glyoxylate and dicarboxylate metabolism
PATH: map00650 Butanoate metabolism
PATH: map00660 C5-Branched dibasic acid metabolism
PATH: map00720 Reductive carboxylate cycle (CO2 fixation)
PATH: map00750 Vitamin B6 metabolism |
| PubChem Compound ID |
51 |
| SMILES |
C(CC(=O)O)C(=O)C(=O)O |
| Source File Reference |
bmse000064 |
