phosphoenolpyruvic acid   

GtoPdb Ligand ID: 4692

Abbreviated name: PEP
Synonyms: phosphoenolpyruvate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 113.87
Molecular weight 167.98
XLogP -1.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(=C)OP(=O)(O)O
Isomeric SMILES OC(=O)C(=C)OP(=O)(O)O
InChI InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChI Key DTBNBXWJWCWCIK-UHFFFAOYSA-N
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Mitochondrial citrate transporter
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
peptidase D Pig Inhibitor Inhibition 9.5 – 9.6 pKi - 1
pKi 9.5 – 9.6 (Ki 3x10-10 – 2.4x10-10 M) [1]
Description: Biphasic inhibition of purified enzyme from pig kidney.