Ligand Id: 5236
Ligand name oxalacetic acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.67
Molecular weight 132.01
XLogP -0.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
2-oxobutanedioic acid
Synonyms
oxaloacetate
Database Links
CAS Registry No. 328-42-7
ChEBI CHEBI:30744
Human Metabolome Database HMDB00223
Search on ChemSpider KHPXUQMNIQBQEV-UHFFFAOYSA-N
Wikipedia Oxaloacetic_acid
ZINC ZINC01532521

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org