| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:03 UTC |
|---|
| Update Date | 2025-03-21 18:35:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108033 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O6S |
|---|
| Molecular Mass | 264.0416 |
|---|
| SMILES | NC(CSCC(=O)C(=O)O)C(=O)NCC(=O)O |
|---|
| InChI Key | JZBVDUCGYLQBPG-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 | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha-hydroxy ketonealpha peptideketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetherketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
