| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:00 UTC |
|---|
| Update Date | 2025-03-25 00:53:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198957 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O3S |
|---|
| Molecular Mass | 252.082 |
|---|
| SMILES | O=C(O)CCSC(=O)CCCc1ccccc1 |
|---|
| InChI Key | SJCIXEYQEVRMSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acyl thioesters |
|---|
| Direct Parent | fatty acyl thioesters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | monocyclic benzene moietythiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidfatty acyl thioesterthiolactoneorganooxygen compound |
|---|
