RefMet Compound Details

MW structure37827 (View MW Metabolite Database details)
RefMet nameAcetylphosphate
Systematic name(acetyloxy)phosphonic acid
SMILESCC(=O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass139.987463 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC2H5O5PView other entries in RefMet with this formula
InChIInChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChIKeyLIPOUNRJVLNBCD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassOrganic phosphoric acids
Sub ClassPhosphate esters
Pubchem CID186
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Acetylphosphate

Rxn IDKEGG ReactionEnzyme
R00315 ATP + Acetate <=> ADP + Acetyl phosphateATP:acetate phosphotransferase
R00317 Acetyl phosphate + H2O <=> Acetate + OrthophosphateAcetyl phosphate phosphohydrolase
R00320 Diphosphate + Acetate <=> Orthophosphate + Acetyl phosphatediphosphate:acetate phosphotransferase

Table of KEGG human pathways containing Acetylphosphate

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 2
hsa00620 Pyruvate metabolism 1
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