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Acetyl phosphate
SpectraBase Compound ID ELZwQnc0bb5
InChI InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChIKey LIPOUNRJVLNBCD-UHFFFAOYSA-N
Mol Weight 140.03 g/mol
Molecular Formula C2H5O5P
Exact Mass 139.98746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1SmQQGWutKS
Name Acetyl phosphate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 590-54-5
ChEBI ID 15350
Comments 100 mM Acetyl phosphate - Sigma A-0262; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C2 H5 O5 P
IUPAC Name acetyloxyphosphonic acid
InChI InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChIKey LIPOUNRJVLNBCD-UHFFFAOYSA-N
KEGG Compound ID C00227
KEGG Pathways PATH: map00430 Taurine and hypotaurine metabolism PATH: map00620 Pyruvate metabolism
PubChem Compound ID 186
SMILES CC(=O)OP(=O)(O)O
Source File Reference bmse000261