| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:58 UTC |
|---|
| Update Date | 2025-03-25 00:49:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176121 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO4 |
|---|
| Molecular Mass | 199.0845 |
|---|
| SMILES | CC(NC(=O)C1C=CC(O)C1)C(=O)O |
|---|
| InChI Key | JKXSOZUGYJJTOV-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 homomonocyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
