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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL181886
CHEMBL181886
Compound Name PYRUVATE SODIUM
ChEMBL Synonyms Sodium 2-Oxo-Propionate | Sodium 2-Oxopropanoate
Max Phase 0
Trade Names
Molecular Formula C3H3NaO3

Additional synonyms for CHEMBL181886 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CC(=O)C(=O)[O-]
Standard InChI InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
Standard InChI Key DAEPDZWVDSPTHF-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL181886

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
88.1 88.016 -0.33 1 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.65 - -1.24 -4.95 0 6 0.45

Structural Alerts

There are 7 structural alerts for CHEMBL181886. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DAEPDZWVDSPTHF-UHFFFAOYSA-M
PubChem SID: 144211803
Wikipedia Sodium_pyruvate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL181886



ACToR 113-24-6
Atlas sodium pyruvate
ChEBI 50144
eMolecules 1937400 484179
EPA CompTox Dashboard DTXSID6040614
FDA SRS POD38AIF08
MolPort MolPort-003-926-926
Nikkaji J186.572B
PubChem 23662274
PubChem: Thomson Pharma 15170516
SureChEMBL SCHEMBL18226

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DAEPDZWVDSPTHF-UHFFFAOYSA-M spacer
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