| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:53 UTC |
|---|
| Update Date | 2025-03-21 17:59:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024041 |
|---|
| Frequency | 162.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O8S |
|---|
| Molecular Mass | 298.0471 |
|---|
| SMILES | NC(CCC(=O)NC(CS(=O)(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | LILPRIBNBBOTDK-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
|---|
| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidglutamine or derivativesorganosulfonic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
