| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:00 UTC |
|---|
| Update Date | 2025-03-21 18:33:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098089 |
|---|
| Frequency | 28.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O6S3 |
|---|
| Molecular Mass | 330.0014 |
|---|
| SMILES | CC(=O)NC(CSC(=S)NCCS(=O)(=O)O)C(=O)O |
|---|
| InChI Key | QSYGOTZVVYQSAE-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfenyl compoundssulfonyls |
|---|
| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
