| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:09 UTC |
|---|
| Update Date | 2025-03-21 18:37:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118002 |
|---|
| Frequency | 22.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO3S2 |
|---|
| Molecular Mass | 211.0337 |
|---|
| SMILES | CS(=O)CSCCC(N)C(=O)O |
|---|
| InChI Key | SYQVPVAXPSCZDQ-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxidesthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
