oxalate   

GtoPdb Ligand ID: 4538

Synonyms: oxalate2-
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 80.26
Molecular weight 87.98
XLogP -1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)C(=O)[O-]
Isomeric SMILES [O-]C(=O)C(=O)[O-]
InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChI Key MUBZPKHOEPUJKR-UHFFFAOYSA-L
Classification
Compound class Metabolite or derivative
IUPAC Name
oxalate
Synonyms
oxalate2-
Database Links
CAS Registry No. 338-70-5 (source: Scifinder)
ChEBI CHEBI:30623
GtoPdb PubChem SID 178101259
PubChem CID 71081
RCSB PDB Ligand OXL
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