| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:31 UTC |
|---|
| Update Date | 2025-03-21 17:57:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005043 |
|---|
| Frequency | 1096.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H19N3O5S2 |
|---|
| Molecular Mass | 325.0766 |
|---|
| SMILES | NC(CCSSCCC(N)C(=O)NCC(=O)O)C(=O)O |
|---|
| InChI Key | VQFXJTZLWXDWEP-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 acidscarbonyl compoundscarboxylic acidsdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
