| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:06 UTC |
|---|
| Update Date | 2025-03-21 18:36:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110597 |
|---|
| Frequency | 24.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H45N2O3+ |
|---|
| Molecular Mass | 397.3425 |
|---|
| SMILES | CCCCCCC=CCCCCCCCC(=O)NCC(=O)OCC[N+](C)(C)C |
|---|
| InChI Key | KPXNNYFSMXGZKQ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | acyl glycines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyl cholinesalpha amino acid estersalpha amino acidsaminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
