| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:51 UTC |
|---|
| Update Date | 2025-03-25 00:51:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187297 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H20N2O2S |
|---|
| Molecular Mass | 232.1245 |
|---|
| SMILES | CC(=O)SCCNC(=O)C(N)CC(C)C |
|---|
| InChI Key | HHEGSWSDYLEFMY-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 compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundcarbothioic s-esterorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
