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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235228
CHEMBL1235228
Compound Name PHOSPHOENOLPYRUVATE
ChEMBL Synonyms Oxo-Phosphonooxy-Acetic Acid
Max Phase 0
Trade Names
Molecular Formula C3H5O6P

Additional synonyms for CHEMBL1235228 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=C)OP(=O)(O)O
Standard InChI InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8 ...
Download InChI
Standard InChI Key DTBNBXWJWCWCIK-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1235228

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
168 167.9824 -0.31 3 104.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.39 - -1.7 -7.31 0 10 0.3

Structural Alerts

There are 10 structural alerts for CHEMBL1235228. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DTBNBXWJWCWCIK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235228



ACToR 138-08-9 101015-20-7
BindingDB 50366413
Brenda 139687 21243 213707 3897 51
ChEBI 44897
DrugBank DB01819
FDA SRS 545YL308OW
Guide to Pharmacology 4692
Human Metabolome Database HMDB0000263
IBM Patent System 2831DD8CF98AD463E3241BC634B4EF92
KEGG Ligand C00074
Metabolights MTBLC44897
MolPort MolPort-002-523-981
Nikkaji J9.706C
PDBe PEP
PubChem 1005 59658623 58114173
PubChem: Thomson Pharma 14772543
SureChEMBL SCHEMBL7908
ZINC ZINC000003870145

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