| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:50:41 UTC |
|---|
| Update Date | 2025-03-21 18:02:46 UTC |
|---|
| HMDB ID | HMDB0039465 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040145 |
|---|
| Name | S-Methyl hexanethioate |
|---|
| Frequency | 86.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14OS |
|---|
| Molecular Mass | 146.0765 |
|---|
| SMILES | CCCCCC(=O)SC |
|---|
| InChI Key | AKGAHYLJHAOPKQ-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 | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganic oxygen compoundhydrocarbon derivativefatty acyl thioesterthiolactoneorganooxygen compound |
|---|
