| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:22 UTC |
|---|
| Update Date | 2025-03-21 17:59:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00020596 |
|---|
| Frequency | 196.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO3S |
|---|
| Molecular Mass | 179.0616 |
|---|
| SMILES | CNC(CCS(C)=O)C(=O)O |
|---|
| InChI Key | AUSWUQNSPJCDGK-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfinyl compoundssulfoxidesthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
