| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:27 UTC |
|---|
| Update Date | 2025-03-25 00:47:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163462 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12O3S2 |
|---|
| Molecular Mass | 196.0228 |
|---|
| SMILES | O=C(O)C(O)CCSCCS |
|---|
| InChI Key | GGQAZNLUSBHURK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | hydroxy fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidehydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativealkylthiolorganooxygen compound |
|---|
