| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:03 UTC |
|---|
| Update Date | 2025-03-25 00:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153597 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H24NO3+ |
|---|
| Molecular Mass | 266.1751 |
|---|
| SMILES | COc1ccc(CCC(=O)OCC[N+](C)(C)C)cc1 |
|---|
| InChI Key | PTXLBMVJKOPBAM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | quaternary ammonium salts |
|---|
| Direct Parent | acyl cholines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaminesanisolescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativeorganic oxideorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteracyl cholinehydrocarbon derivativebenzenoidphenoxy compoundamineorganooxygen compound |
|---|
