| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:02 UTC |
|---|
| Update Date | 2025-03-21 18:31:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00086208 |
|---|
| Frequency | 33.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O7S |
|---|
| Molecular Mass | 238.0147 |
|---|
| SMILES | O=C(O)CSCC(O)(CC(=O)O)C(=O)O |
|---|
| InChI Key | FNQLCDFEFWFKPA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessulfenyl compoundstertiary alcoholsthia fatty acids |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidorganosulfur compoundtertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
