| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:54 UTC |
|---|
| Update Date | 2025-03-25 00:51:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02187447 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H17FN2O4 |
|---|
| Molecular Mass | 248.1172 |
|---|
| SMILES | CC(C)C(N)C(=O)NC(CCC(=O)F)C(=O)O |
|---|
| InChI Key | NNSIVZAJYULLHE-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acyl fluoridesalpha amino acid amidesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativeshalogenated fatty acidalpha-amino acid amiden-acyl-alpha-amino acidorganofluoridevaline or derivativesacyl fluoridecarboxamide groupacyl halidebranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
