Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110414
Identification
Name: phosphinopyruvate
Description:A 2-oxo monocarboxylic acid anion arising from deprotonation of the carboxy and hydroxyphosphinyl groups of (hydroxyphosphinyl)pyruvic acid; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • 3-[hydroxy(oxido)phosphoranyl]pyruvic acid
  • 3-(hydrohydroxyphosphoryl)pyruvate
  • (hydroxyphosphinyl)pyruvate
  • PPA
  • 3-hydrohydroxyphosphorylpyruvate
Chemical Formula: C3H3O5P
Average Molecular Weight: 150.03
Monoisotopic Molecular Weight: 151.987459781
InChI Key: VHAFWRWGHGSZDL-UHFFFAOYSA-L
InChI: InChI=1S/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8)/p-2
CAS number: Not Available
IUPAC Name:3-(dioxidophosphoranyl)-2-oxopropanoate
Traditional IUPAC Name: Not Available
SMILES:C([O-])(=O)C(=O)C[PH]([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Keto acids and derivatives
Sub ClassAlpha-keto acids and derivatives
Direct Parent Alpha-keto acids and derivatives
Alternative Parents
Substituents
  • Alpha-keto acid
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organophosphorus compound
  • Organooxygen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • 2-oxo monocarboxylic acid anion (CHEBI:58348)
  • a phosphinate (3-HYDROHYDROXYPHOSPHORYLPYRUVATE)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer21722341 PubChem
Molecular Weight149.018 g/molPubChem
XLogP3-AA-1.1 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count1 PubChem
Exact Mass148.964 g/molPubChem
Monoisotopic Mass148.964 g/molPubChem
Topological Polar Surface Area91.3 A^2PubChem
Heavy Atom Count9 PubChem
Formal Charge-1 PubChem
Complexity183 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS144705-32-8
    ChEBI58348
    ChemSpider10306741
    KEGGC06368
    PubChem21722341