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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1162144
CHEMBL1162144
Compound Name PYRUVATE
ChEMBL Synonyms Sodium 2-Oxo-Propionate | 2-Oxopropanoate | Sodium 2-Oxopropanoate
Max Phase 0
Trade Names
Molecular Formula C3H4O3

Additional synonyms for CHEMBL1162144 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C(=O)O
Standard InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
Standard InChI Key LCTONWCANYUPML-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1162144

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 CHEMBL1162144. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LCTONWCANYUPML-UHFFFAOYSA-N
PubChem SID: 144209294 SID: 144213601
Wikipedia Pyruvic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1162144



ACToR 127-17-3
BindingDB 19473
Brenda 175251 1725 136939 12318 31 145520
ChEBI 32816
DrugBank DB00119
eMolecules 478132
EPA CompTox Dashboard DTXSID2021650
FDA SRS 8558G7RUTR
Guide to Pharmacology 4809
Human Metabolome Database HMDB0000243
IBM Patent System 39CFCB40EA632AF6A88239A7277C1C37 4FBF6127F5978FB471B58E35EBDBF211
KEGG Ligand C00022
LipidMaps LMFA01060077
Mcule MCULE-8587144313
Metabolights MTBLC32816
Nikkaji J2.015J
NMRShiftDB 20097599
PDBe PYR
PharmGKB PA164778686
PubChem 1060
PubChem: Thomson Pharma 15194194
SureChEMBL SCHEMBL1750
ZINC ZINC000001532517

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