| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:46 UTC |
|---|
| Update Date | 2025-03-21 18:31:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00087867 |
|---|
| Frequency | 32.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O5S |
|---|
| Molecular Mass | 250.0623 |
|---|
| SMILES | NC(=O)CCC(NC(CS)C(=O)O)C(=O)O |
|---|
| InChI Key | NHGGEJVOXCBMAN-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 | glutamine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdicarboxylic acids and derivativesfatty acids and conjugatesfatty amideshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminecarboxamide grouporganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
|---|
