Molecular Identity
phosphoenolpyruvate
2-phosphonooxyprop-2-enoic acid
PubChem CID: 1005
Phosphoenolpyruvic acid is a monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis. It has a role as a fundamental metabolite. It is a monocarboxylic acid and a carboxyalkyl phosphate. It is functionally related to an acrylic acid. It is a conjugate acid of a phosphoenolpyruvate and a phosphonatoenolpyruvate.
2D Structure
Properties
C3H5O6P
Molecular Formula
168.04
Molecular Weight
g/mol
167.9824
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
201
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
phosphoenolpyruvatePhosphoenolpyruvic acid138-08-92-(phosphonooxy)prop-2-enoic acid2-Phosphonooxyprop-2-enoic acid2-(phosphonooxy)-2-propenoic acid545YL308OW2-(phosphonooxy)-2-propenoateCHEBI:44897DTXSID80861797CHEBI:18021DTXSID00223277RefChem:173566DTXCID00145768DTXCID90197579
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to phosphoenolpyruvate
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