| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:51 UTC |
|---|
| Update Date | 2025-03-25 00:50:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180476 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16NO6+ |
|---|
| Molecular Mass | 234.0972 |
|---|
| SMILES | C[N+](C)(C)CC(=O)C(O)(CC(=O)O)C(=O)O |
|---|
| InChI Key | LRXLXOPNFZMMSR-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-aminoalcoholsacyloinsalpha hydroxy acids and derivativesalpha-amino ketonesalpha-hydroxy ketonesaminesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain keto acids and derivativestertiary alcoholstetraalkylammonium salts |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcohol1,3-aminoalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidbranched fatty acidgamma-keto acidtertiary alcoholorganic oxygen compoundacyloindicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
