| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:30 UTC |
|---|
| Update Date | 2025-03-21 18:37:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114000 |
|---|
| Frequency | 23.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19N3O8S |
|---|
| Molecular Mass | 365.0893 |
|---|
| SMILES | NC(CCC(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O)C(=O)O |
|---|
| InChI Key | WCWYOQKFEACVAJ-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 | alkylthiolsalpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidestricarboxylic 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 compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
