oxalacetic acid   Click here for help

GtoPdb Ligand ID: 5236

Synonyms: oxaloacetate
2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC(=O)C(=O)O
Isomeric SMILES OC(=O)CC(=O)C(=O)O
InChI InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
InChI Key KHPXUQMNIQBQEV-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-oxobutanedioic acid
Synonyms Click here for help
oxaloacetate
Database Links Click here for help
CAS Registry No. 328-42-7
ChEBI CHEBI:30744
ChEMBL Ligand CHEMBL1794791
GtoPdb PubChem SID 178101920
PubChem CID 970
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Wikipedia Oxaloacetic_acid