| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:12 UTC |
|---|
| Update Date | 2025-03-25 00:57:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222647 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H5F5O4S |
|---|
| Molecular Mass | 243.9829 |
|---|
| SMILES | O=S(=O)(O)OCCC(F)(F)C(F)(F)F |
|---|
| InChI Key | QXFRKSXYXQTUIP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | sulfuric acid esters |
|---|
| Direct Parent | sulfuric acid monoesters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkyl sulfateshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compounds |
|---|
| Substituents | aliphatic acyclic compoundsulfuric acid monoesteralkyl fluorideorganofluorideorganohalogen compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esteralkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
