| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:17 UTC |
|---|
| Update Date | 2025-03-25 00:50:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181472 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O5S |
|---|
| Molecular Mass | 234.0562 |
|---|
| SMILES | O=C(O)CCCCC1C=C(O)CS1(=O)=O |
|---|
| InChI Key | MMEFZXMGEDLBKQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiophenesfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessulfones |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acid2,5-dihydrothiophenecarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundorganooxygen compoundsulfone |
|---|
