| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:35 UTC |
|---|
| Update Date | 2025-03-21 18:41:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133149 |
|---|
| Frequency | 18.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14NO4+ |
|---|
| Molecular Mass | 176.0917 |
|---|
| SMILES | C[N+](C)(C)CC(O)C(=O)C(=O)O |
|---|
| InChI Key | NHEWWFLCYUYRGX-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesaminesbeta hydroxy acids and derivativesbeta-amino ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidorganic cationbeta-aminoketoneorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
