| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:09 UTC |
|---|
| Update Date | 2025-03-21 17:56:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004204 |
|---|
| Frequency | 1342.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO3S |
|---|
| Molecular Mass | 179.0616 |
|---|
| SMILES | CS(=O)CCCC(N)C(=O)O |
|---|
| InChI Key | XHYKVKZPBMJETG-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 acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidealpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
