| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:50 UTC |
|---|
| Update Date | 2025-03-25 00:55:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02214834 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H22N2O2S2 |
|---|
| Molecular Mass | 278.1123 |
|---|
| SMILES | CCC(C)C(N)C(=O)NC(CCSC)C(=O)S |
|---|
| InChI Key | CCEKACCTMCTHNN-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 | isoleucine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbodithioic acidscarbonyl compoundscarbothioic s-acidscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesmethionine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiocarboxylic acids and derivativesthiolactones |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneisoleucine or derivativesn-acyl-alpha amino acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarbodithioic acidcarboxamide groupn-acyl-aminecarbothioic s-acidsecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
