| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:33 UTC |
|---|
| Update Date | 2025-03-21 17:57:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007409 |
|---|
| Frequency | 681.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H15NO2S2 |
|---|
| Molecular Mass | 221.0544 |
|---|
| SMILES | NC(CCCC1CCSS1)C(=O)O |
|---|
| InChI Key | FTDCKLKKXWNRAR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dithiolanes |
|---|
| Subclass | lipoic acids and derivatives |
|---|
| Direct Parent | lipoic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-dithiolanesalpha amino acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivative1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundlipoic_acid_derivativeorganooxygen compound |
|---|
