| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:16 UTC |
|---|
| Update Date | 2025-03-21 18:06:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062781 |
|---|
| Frequency | 49.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H9NO5S |
|---|
| Molecular Mass | 183.0201 |
|---|
| SMILES | CC(C(N)C(=O)O)S(=O)(=O)O |
|---|
| InChI Key | IXOZCSWINXTJOY-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 oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
