RefMet Compound Details

MW structure37488 (View MW Metabolite Database details)
RefMet nameAcetylcholine
Systematic name[2-(acetyloxy)ethyl]trimethylazanium
SMILESCC(=O)OCC[N+](C)(C)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass146.118104 (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
FormulaC7H16NO2View other entries in RefMet with this formula
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassCholines
Sub ClassAcyl cholines
Pubchem CID187
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Acetylcholine

Rxn IDKEGG ReactionEnzyme
R01023 Acetyl-CoA + Choline <=> CoA + AcetylcholineAcetyl-CoA:choline O-acetyltransferase
R01026 Acetylcholine + H2O <=> Choline + AcetateAcetylcholine aectylhydrolase

Table of KEGG human pathways containing Acetylcholine

Pathway IDHuman Pathway# of reactions
hsa00564 Glycerophospholipid metabolism 2