| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:09 UTC |
|---|
| Update Date | 2025-03-21 18:38:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122730 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9NO3 |
|---|
| Molecular Mass | 143.0582 |
|---|
| SMILES | CC(=O)C=CC(N)C(=O)O |
|---|
| InChI Key | KLOMWDVLCBINPU-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 | acryloyl compoundsamino fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneamino fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenone |
|---|
