| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:10 UTC |
|---|
| Update Date | 2025-03-25 01:00:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02245160 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7F10NO5S |
|---|
| Molecular Mass | 418.9885 |
|---|
| SMILES | CN(CC(=O)O)S(=O)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O |
|---|
| InChI Key | KWZASCSAKLMJOE-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
|---|
| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic acidorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidalkyl fluorideorganofluorideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
