| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:28 UTC |
|---|
| Update Date | 2025-03-25 00:58:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232062 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O3S |
|---|
| Molecular Mass | 200.0507 |
|---|
| SMILES | CC1=C(C=O)CSC1CCC(=O)O |
|---|
| InChI Key | DQKPJRWMVNFNJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | thia fatty acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldehydescarboxylic acidsdialkylthioethersdihydrothiophenesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic aciddialkylthioether2,5-dihydrothiophenealdehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
