| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:23 UTC |
|---|
| Update Date | 2025-03-21 18:38:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118593 |
|---|
| Frequency | 22.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO4 |
|---|
| Molecular Mass | 239.1158 |
|---|
| SMILES | CCCCCC=CC(=O)C(=C=O)NCC(=O)O |
|---|
| InChI Key | RGGKGNLVXMRZJG-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 compoundcarbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundamine |
|---|
