| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:27 UTC |
|---|
| Update Date | 2025-03-21 18:03:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044426 |
|---|
| Frequency | 76.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO4 |
|---|
| Molecular Mass | 199.0845 |
|---|
| SMILES | CCCCC(=O)C(=C=O)NCC(=O)O |
|---|
| InChI Key | SICZPVSOZYEABD-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 acidscarboxylic acidsdialkylaminesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
|---|
| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary amineketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolateorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamineenone |
|---|
