| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:46 UTC |
|---|
| Update Date | 2025-03-25 00:53:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198394 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3S |
|---|
| Molecular Mass | 176.0507 |
|---|
| SMILES | CC(C)CC(S)C(=O)C(=O)O |
|---|
| InChI Key | JQOSHEGWSWGMBJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha-hydroxy ketonesalpha-keto acids and derivativesbranched fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundalpha-keto acidhydrocarbon derivativealkylthiolorganooxygen compoundmedium-chain keto acid |
|---|
