| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:18 UTC |
|---|
| Update Date | 2025-03-25 00:56:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220557 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6F6O4S |
|---|
| Molecular Mass | 299.9891 |
|---|
| SMILES | O=C(O)CSCC(F)(F)C(F)(F)C(F)(F)C(=O)O |
|---|
| InChI Key | JCGJOTJTJMAGTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | halogenated fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridessulfenyl compounds |
|---|
| Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundalkyl fluorideorganofluoridedialkylthioetheralpha-halocarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
