phosphoenolpyruvic acid

Ligand id: 4692

Name: phosphoenolpyruvic acid

Abbreviated name: PEP

Structure and Physico-chemical Properties

2D Structure
Calculated 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

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-(phosphonooxy)prop-2-enoic acid
Synonyms
phosphoenolpyruvate
Database Links
CAS Registry No. 138-08-9 (source: Scifinder)
ChEBI CHEBI:44897
ChEMBL Ligand CHEMBL1235228
PubChem CID 1005
RCSB PDB Ligand PEP
Search Google for chemical match using the InChIKey DTBNBXWJWCWCIK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DTBNBXWJWCWCIK
Search UniChem for chemical match using the InChIKey DTBNBXWJWCWCIK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DTBNBXWJWCWCIK
Wikipedia Phosphoenolpyruvate