| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:28 UTC |
|---|
| Update Date | 2025-03-21 18:06:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063248 |
|---|
| Frequency | 48.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H11NO5S |
|---|
| Molecular Mass | 209.0358 |
|---|
| SMILES | CC(=O)NC(CC[SH](=O)=O)C(=O)O |
|---|
| InChI Key | GJSXGKSAHSVGNC-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 | acetamidesalkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundss-alkylsulfenatessecondary carboxylic acid amidesthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamides-alkylsulfenaten-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
