| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:47 UTC |
|---|
| Update Date | 2025-03-25 00:55:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02212429 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H42NO3+ |
|---|
| Molecular Mass | 356.3159 |
|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)CC(=O)C[N+](C)(C)C |
|---|
| InChI Key | FIAFAVGECXFFRZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | beta-keto acids and derivatives |
|---|
| Direct Parent | beta-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-amino ketonesaminescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-aminoketonecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
|---|
