| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:48 UTC |
|---|
| Update Date | 2025-03-25 00:51:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187190 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H15NO6S |
|---|
| Molecular Mass | 253.062 |
|---|
| SMILES | CC(C)(C)C(=O)NCCC(=O)OS(=O)(=O)O |
|---|
| InChI Key | FEDKMQMXNNWHEP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
