| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:55 UTC |
|---|
| Update Date | 2025-03-21 18:05:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00054867 |
|---|
| Frequency | 58.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NO4S |
|---|
| Molecular Mass | 179.0252 |
|---|
| SMILES | NC(CCSC(=O)O)C(=O)O |
|---|
| InChI Key | UMQZNMPXYJUFIY-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthiolactones |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundthiocarbonic acid derivativefatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
|---|
