| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:18 UTC |
|---|
| Update Date | 2025-03-21 17:57:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009161 |
|---|
| Frequency | 538.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H11NO4S |
|---|
| Molecular Mass | 193.0409 |
|---|
| SMILES | CC(O)C(=O)NC(CS)C(=O)O |
|---|
| InChI Key | VPMRTVGJLYJTNF-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
