| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:16 UTC |
|---|
| Update Date | 2025-03-21 18:32:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00089032 |
|---|
| Frequency | 31.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9F3O3 |
|---|
| Molecular Mass | 186.0504 |
|---|
| SMILES | CC(C)C(O)(C(=O)O)C(F)(F)F |
|---|
| InChI Key | NGFONSQDXLSELQ-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 hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfluorohydrincarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidalcoholhalogenated fatty acidmethyl-branched fatty acidhalohydrinalkyl fluorideorganofluoridehydroxy acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
