Basic information
- CAS
67533-07-7- Standard SMILES
C=C(OP(=O)([O-])[O-])C(=O)[O-]- InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-K- Molecular formula
- C3H2O6P-3
- Average molar mass
- 165.02 g/mol
- Monoisotopic mass
- 164.95889978
Overview
Phosphonatoenolpyruvate is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of phosphoenolpyruvic acid. It has a role as a fundamental metabolite. It is a monocarboxylic acid anion and an organophosphate oxoanion. It is a conjugate base of a phosphoenolpyruvic acid.
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(phosphonooxy)-, ion(3-)
- IUPAC
- 2-phosphonatooxyprop-2-enoate
Names & synonyms
DTXSID4012596282-Propenoic acid, 2-(phosphonooxy)-, ion(3-)67533-07-7RefChem:1064503DTXCID401495254phosphonatoenolpyruvatephosphoenol pyruvate2-phosphonatooxyprop-2-enoatePhosphoenol pyruvate(PEP)phosphonatoenolpyruvate(3-)2-(phosphooxy)- 2-propenoate2-(phosphonatooxy)prop-2-enoate
Show more names
CHEBI:587022-(phosphonoatooxy)prop-2-enoateQ27125977
Database identifiers
- CAS
67533-07-7- PubChem CID
- 3674425
- DTXSID
DTXSID401259628- ChEBI
CHEBI:58702- Nikkaji
- J1.961.441G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- -3
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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