| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:42 UTC |
|---|
| Update Date | 2025-03-25 00:56:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221495 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O5S2 |
|---|
| Molecular Mass | 252.0126 |
|---|
| SMILES | O=C(O)CCCCC1C(=O)SCS1(=O)=O |
|---|
| InChI Key | CWJBOGYXKXUTDC-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 | 1,3-dithiolanescarbonyl compoundscarbothioic s-lactonescarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfonesthioestersthiolactones |
|---|
| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidthiocarboxylic acid estercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolanealiphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acid1,3-dithiolanethiolactoneorganoheterocyclic compoundorganooxygen compoundsulfone |
|---|
