| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:38 UTC |
|---|
| Update Date | 2025-03-25 00:53:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202683 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6S2 |
|---|
| Molecular Mass | 290.9871 |
|---|
| SMILES | O=C(O)CNC(=O)c1ccccc1SS(=O)(=O)O |
|---|
| InChI Key | CALCGGGTEKMKKC-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativeso-sulfanylbenzoic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupo-sulfanylbenzoic acid or derivativesn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
