| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:18 UTC |
|---|
| Update Date | 2025-03-21 18:37:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00113505 |
|---|
| Frequency | 23.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NO4S |
|---|
| Molecular Mass | 179.0252 |
|---|
| SMILES | CC(=O)NC(CSO)C(=O)O |
|---|
| InChI Key | UDRNLIPAONYIBJ-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundss-alkylsulfenatesso-thioperoxolssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamides-alkylsulfenatesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupthioperoxolsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundso-thioperoxolorganooxygen compound |
|---|
