| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:05 UTC |
|---|
| Update Date | 2025-03-25 00:50:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181007 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14O4S |
|---|
| Molecular Mass | 230.0613 |
|---|
| SMILES | O=C(O)CCC1=CC(CCC(=O)O)CS1 |
|---|
| InChI Key | CCAOLKDRFFXZNB-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrothiophenesfatty acylshydrocarbon derivativesorganic oxidesthioenol ethers |
|---|
| Substituents | carbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeorganic oxidethia fatty acidthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
