|
Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of
|
Acetyl Phosphate
Acetyl Phosphate synonyms
Acetyl phosphate; Acetic acid, monoanhydride with phosphoric acid
Molecular Formula: C2 H5 O5 P
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)
canonical SMILES: CC(=O)OP(=O)(O)O
IUPAC: IUPAC systematic
acetyloxyphosphonic acid
IUPAC traditional: IUPAC openeye: IUPAC cas
acetoxyphosphonic acid
PubChem Compound (CID): 186
KEGG: Compound ID C00227
CAS Registry IDs: 590-54-5
PDB Chemical Component UVW
Miscellaneous Databases and IDs: ChemIDplus 000590545
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773