| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:11 UTC |
|---|
| Update Date | 2025-03-21 18:31:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084213 |
|---|
| Frequency | 34.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H9NO6S |
|---|
| Molecular Mass | 199.0151 |
|---|
| SMILES | NCCC(OS(=O)(=O)O)C(=O)O |
|---|
| InChI Key | SSUMMKPWRKIPAB-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 | gamma amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfated fatty acidssulfuric acid monoesters |
|---|
| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidgamma amino acid or derivativesfatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
