α-ketoglutaric acid   Click here for help

GtoPdb Ligand ID: 3636

Synonyms: α-ketoglutarate | 2-ketoglutarate | 2-ketoglutaric acid | 2-oxoglutarate | oxoglutarate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 91.67
Molecular weight 146.02
XLogP -1.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(=O)C(=O)O
Isomeric SMILES OC(=O)CCC(=O)C(=O)O
InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChI Key KPGXRSRHYNQIFN-UHFFFAOYSA-N
Natural/Endogenous Targets
Target
oxoglutarate receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
4-aminobutyrate aminotransferase
Tyrosine aminotransferase
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Mitochondrial oxodicarboxylate carrier
Mitochondrial oxoglutarate carrier
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
oxoglutarate receptor Ligand is endogenous in the given species Hs Agonist Full agonist 3.3 – 4.5 pEC50 - 1-2
pEC50 3.3 – 4.5 (EC50 6.9x10-5 – 3.2x10-5 M) [1-2]