| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:14 UTC |
|---|
| Update Date | 2025-03-25 00:52:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194859 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H17NO4S |
|---|
| Molecular Mass | 235.0878 |
|---|
| SMILES | CCOC(=O)NC(CCSC)C(=O)OC |
|---|
| InChI Key | UWBCTQMOGLNCHC-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 | methionine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid estersalpha amino acidscarbamate esterscarbonyl compoundsdialkylthioethersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativesulfenyl compoundalpha-amino acid esterdialkylthioethercarbamic acid esterfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
