| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:55 UTC |
|---|
| Update Date | 2025-03-25 00:49:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176004 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16N2O3S2 |
|---|
| Molecular Mass | 264.0602 |
|---|
| SMILES | CCC(C)C(NC(=O)C1CSSN1)C(=O)O |
|---|
| InChI Key | GWUPKRAQFRJRGL-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 heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidazacyclen-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
