| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:06 UTC |
|---|
| Update Date | 2025-03-21 18:35:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108152 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18NO4+ |
|---|
| Molecular Mass | 204.123 |
|---|
| SMILES | C[N+](C)(C)CC(O)CC(=O)CC(=O)O |
|---|
| InChI Key | QCEBOSVSAHSESS-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsaminesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidscholinesfatty acylsgamma-amino ketoneshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholgamma-aminoketonetetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundcholinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundmedium-chain keto acid |
|---|
