| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:37 UTC |
|---|
| Update Date | 2025-03-25 00:54:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02209617 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9F4NO3 |
|---|
| Molecular Mass | 231.0519 |
|---|
| SMILES | CC(NC(=O)C(C)(F)C(F)(F)F)C(=O)O |
|---|
| InChI Key | SCYQQSOHFKVBKJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalkyl fluoridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide grouporganohalogen compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativesalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
