| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:43 UTC |
|---|
| Update Date | 2025-03-21 18:02:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040205 |
|---|
| Frequency | 86.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2S3 |
|---|
| Molecular Mass | 223.9999 |
|---|
| SMILES | O=C(O)CCCCC1SCSS1 |
|---|
| InChI Key | URTCVVUFZUWNGN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | medium-chain fatty acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidestrithiolanes |
|---|
| Substituents | carbonyl groupcarboxylic acidtrithiolaneheterocyclic fatty aciddialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganic disulfidealiphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
|---|
