Biological Magnetic Resonance Data Bank

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

Acetyl Phosphate

Acetyl_phosphate synonyms

Acetic acid, monoanhydride with phosphoric acid


Graphical representations:


View large 3D structure

Molecular Formula: C2H5O5P

Natural Isotopic Abundance Mass: 140.0318610000

Mono-Isotopic Molecular Masses:

  • C12N14: 139.987459781
  • C13N14: 141.994169457
  • C12N15: 139.987459781
  • C13N15: 141.994169457

InChI string: InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)

IUPAC: acetyloxyphosphonic acid

PubChem Compound (CID): 186
KEGG Compound ID: C00227
ChemIDplus: 000590545
CAS Registry number: 590-54-5
PDB Compound ID: UVW

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,