| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:47 UTC |
|---|
| Update Date | 2025-03-21 18:28:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071201 |
|---|
| Frequency | 49.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H24N2O3S |
|---|
| Molecular Mass | 276.1508 |
|---|
| SMILES | COC(=O)C(CCSC)NC(=O)C(N)CC(C)C |
|---|
| InChI Key | KKWULKQOQOUXKZ-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 | peptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidscarbonyl compoundsdialkylthioethersfatty acid estershydrocarbon derivativesleucine and derivativesmethionine and derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha-amino acid or derivativesorganosulfur compoundalpha peptideorganic oxidemethyl esterleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
