| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:25 UTC |
|---|
| Update Date | 2025-03-25 00:46:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156751 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N2O4S |
|---|
| Molecular Mass | 246.0674 |
|---|
| SMILES | O=C1CCC(CC(=O)NC(CS)C(=O)O)N1 |
|---|
| InChI Key | HVAJINWFZFZAHT-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 | alkylthiolsalpha amino acidsazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolidine-2-onessecondary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
