| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:34 UTC |
|---|
| Update Date | 2025-03-21 17:58:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016607 |
|---|
| Frequency | 256.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5F3O3 |
|---|
| Molecular Mass | 170.0191 |
|---|
| SMILES | CC(C(=O)O)C(=O)C(F)(F)F |
|---|
| InChI Key | UAIBYLZHIIZHKJ-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 | 1,3-dicarbonyl compoundsalkyl fluoridesalpha-haloketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesshort-chain keto acids and derivatives |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidketoneorganic oxidealpha-haloketonealkyl halidehalogenated fatty acidmethyl-branched fatty acidalkyl fluorideorganofluoridebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
|---|
