| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:24 UTC |
|---|
| Update Date | 2025-03-25 01:01:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248044 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO5 |
|---|
| Molecular Mass | 201.0637 |
|---|
| SMILES | CC(=O)NC(C(=O)O)C(=O)C=C(C)O |
|---|
| InChI Key | QYRSITOUSYQWIG-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 | 1,3-dicarbonyl compoundsacetamidesacryloyl compoundsalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamideenonen-acyl-alpha-amino acidcarboxamide groupamino fatty acidsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
|---|
