Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Phosphoenolpyruvic Acid

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Molecular Formula: C3H4O6P-

Natural Isotopic Abundance Mass: 167.0345695799

Mono-Isotopic Molecular Masses:

  • C12N14: 166.975097951
  • C13N14: 169.985162464
  • C12N15: 166.975097951
  • C13N15: 169.985162464

InChI string: InChI=1/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-1/fC3H4O6P/h4,6H/q-1

IUPAC: 2-(hydroxy-oxido-phosphoryl)oxyprop-2-enoic acid

PubChem Compound (CID): 6315
KEGG Compound ID: C00074
CAS Registry number: 73-89-2
ChEBI: 26055
EINECS: 200-804-3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,