| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:48 UTC |
|---|
| Update Date | 2025-03-21 18:36:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109889 |
|---|
| Frequency | 24.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O5S |
|---|
| Molecular Mass | 248.0467 |
|---|
| SMILES | O=C(O)CNC(=O)C1CSCC(C(=O)O)N1 |
|---|
| InChI Key | SJKATTGZRNPNBW-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 heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiomorpholine carboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidalpha peptideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidorganoheterocyclic compound1,4-thiazinanesecondary aliphatic amineazacycledialkylthioethersecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
