α-ketoglutaric acid   

GtoPdb Ligand ID: 3636

Synonyms: α-ketoglutarate | 2-ketoglutarate | 2-ketoglutaric acid | 2-oxoglutarate | oxoglutarate
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Metabolite or derivative
IUPAC Name
2-Oxopentanedioic acid
Synonyms
α-ketoglutarate | 2-ketoglutarate | 2-ketoglutaric acid | 2-oxoglutarate | oxoglutarate
Database Links
CAS Registry No. 328-50-7 (source: Scifinder)
ChEBI CHEBI:30915
ChEMBL Ligand CHEMBL1686
GtoPdb PubChem SID 178100543
PubChem CID 51
RCSB PDB Ligand AKG
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Search UniChem for chemical match using the InChIKey KPGXRSRHYNQIFN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KPGXRSRHYNQIFN
Wikipedia Alpha-ketoglutaric_acid