| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:45 UTC |
|---|
| Update Date | 2025-03-25 00:48:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171022 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O8S |
|---|
| Molecular Mass | 334.0471 |
|---|
| SMILES | CC(=O)NC(CSC1C(=O)NC(=O)C1(O)CC(=O)O)C(=O)O |
|---|
| InChI Key | XEBAQBNRLIDWIH-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboximidesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidessulfenyl compoundstertiary alcoholsthia fatty acids |
|---|
| Substituents | fatty acyl2-pyrrolidonecarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximidepyrrolidinepyrrolidoneorganoheterocyclic compoundacetamidealcoholsulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupcarboxylic acid imidesecondary carboxylic acid amidetertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
