| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:52 UTC |
|---|
| Update Date | 2025-03-25 00:50:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178264 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H11NO6S |
|---|
| Molecular Mass | 237.0307 |
|---|
| SMILES | COC(=O)C(SCC(N)C(=O)O)C(=O)O |
|---|
| InChI Key | BUCJPLPUNLFNLJ-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmethyl estersmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertricarboxylic acid or derivativesorganosulfur compoundorganic oxidemethyl esterorganic oxygen compoundthioethercysteine or derivativescarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
|---|
