| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:40 UTC |
|---|
| Update Date | 2025-03-21 18:06:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00066108 |
|---|
| Frequency | 46.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H19N3O6S |
|---|
| Molecular Mass | 321.0995 |
|---|
| SMILES | CC(=O)NC(CSCCC(N)C(=O)NCC(=O)O)C(=O)O |
|---|
| InChI Key | UFSNLQYCLQKEJJ-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 | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
