| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:41 UTC |
|---|
| Update Date | 2025-03-21 17:58:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00014726 |
|---|
| Frequency | 298.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H40NO3+ |
|---|
| Molecular Mass | 330.3003 |
|---|
| SMILES | CCCCCCCCCCCC(O)CC(=O)OCC[N+](C)(C)C |
|---|
| InChI Key | XAWRZDYQVSDZNK-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 | aminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salthydroxy acidfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholacyl cholinehydrocarbon derivativeamineorganooxygen compound |
|---|
