| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:46 UTC |
|---|
| Update Date | 2025-03-21 18:39:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124086 |
|---|
| Frequency | 20.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H26N2O3S2 |
|---|
| Molecular Mass | 334.1385 |
|---|
| SMILES | NCCCCC(NC(=O)CCCCC1CCSS1)C(=O)O |
|---|
| InChI Key | IULKRFVWVTZYFB-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 | 1,2-dithiolanesalpha amino acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslipoamidesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acid1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidelipoamidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
