| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:34:24 UTC |
|---|
| Update Date | 2025-03-21 17:56:36 UTC |
|---|
| HMDB ID | HMDB0000895 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002390 |
|---|
| Name | Acetylcholine |
|---|
| Frequency | 2546.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H16NO2+ |
|---|
| Molecular Mass | 146.1176 |
|---|
| SMILES | CC(=O)OCC[N+](C)(C)C |
|---|
| InChI Key | OIPILFWXSMYKGL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | quaternary ammonium salts |
|---|
| Direct Parent | acyl cholines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | aminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
|---|
