| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:35 UTC |
|---|
| Update Date | 2025-03-25 00:49:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175220 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14O3S |
|---|
| Molecular Mass | 214.0664 |
|---|
| SMILES | CCCCC1=C(CC(=O)O)C(=O)CS1 |
|---|
| InChI Key | BNNYOYZRPMKMPT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous thioesters |
|---|
| Subclass | vinylogous thioesters |
|---|
| Direct Parent | vinylogous thioesters |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidscyclic ketonesdihydrothiopheneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioenol ethers |
|---|
| Substituents | vinylogous thioestercarbonyl groupcarboxylic acid2,3-dihydrothiophenecyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
