| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:37 UTC |
|---|
| Update Date | 2025-03-21 18:39:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123734 |
|---|
| Frequency | 30.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H18N2O4S |
|---|
| Molecular Mass | 238.0987 |
|---|
| SMILES | CC(C)CC(N)C(=O)NCCS(=O)(=O)O |
|---|
| InChI Key | QTEJXTPROUJTKA-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 | leucine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
|---|
| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl grouporganosulfonic acidfatty amideorganosulfur compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acyl-aminesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
