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2-Oxopentanedioic acid
SpectraBase Compound ID 6VJSoDq7Zml
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
Mol Weight 146.1 g/mol
Molecular Formula C5H6O5
Exact Mass 146.021523 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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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