| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:27 UTC |
|---|
| Update Date | 2025-03-21 18:30:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082476 |
|---|
| Frequency | 35.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO3S |
|---|
| Molecular Mass | 191.0616 |
|---|
| SMILES | CC(CSCCN)C(=O)C(=O)O |
|---|
| InChI Key | KQDVBUBDZWACCH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundmethyl-branched fatty acidsulfenyl compounddialkylthioetherbranched fatty acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
