| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:04 UTC |
|---|
| Update Date | 2025-03-25 00:45:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02148939 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19NO5 |
|---|
| Molecular Mass | 269.1263 |
|---|
| SMILES | CCCC=CC=CC(O)C(O)C(=C=O)NCC(=O)O |
|---|
| InChI Key | KIFDWXJDOSWDGG-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 | 1,2-diolsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholsynolates |
|---|
| Substituents | alcoholaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolateorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine1,2-diol |
|---|
