| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:23 UTC |
|---|
| Update Date | 2025-03-25 00:47:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163317 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5F5O4 |
|---|
| Molecular Mass | 236.0108 |
|---|
| SMILES | O=C(O)C(CC(F)(F)C(=O)O)C(F)(F)F |
|---|
| InChI Key | IGISSYSLQDUGCN-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluorides |
|---|
| Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbranched fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
