| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:45 UTC |
|---|
| Update Date | 2025-03-21 18:41:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133525 |
|---|
| Frequency | 18.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N4O9S |
|---|
| Molecular Mass | 408.0951 |
|---|
| SMILES | NC(CCC(=O)NC(CSC(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O |
|---|
| InChI Key | DJHQDZHPFBCWDB-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 | oligopeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiolactonestricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonen-acyl-alpha amino acid or derivativescarbonic acid derivativesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
|---|
