| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:17 UTC |
|---|
| Update Date | 2025-03-21 17:59:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018182 |
|---|
| Frequency | 228.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O6S |
|---|
| Molecular Mass | 222.0198 |
|---|
| SMILES | O=C(O)C(=O)CSCCC(O)C(=O)O |
|---|
| InChI Key | WWDVBDIVIUEEAF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholssulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealpha-keto acidhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
