| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:02 UTC |
|---|
| Update Date | 2025-03-21 18:00:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029081 |
|---|
| Frequency | 128.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO5 |
|---|
| Molecular Mass | 187.0481 |
|---|
| SMILES | CC(=O)NC(C=CC(=O)O)C(=O)O |
|---|
| InChI Key | GGBIYKBDJQMXOY-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesunsaturated fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidfatty acidcarboxamide groupsecondary carboxylic acid amideunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
|---|
