| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:11 UTC |
|---|
| Update Date | 2025-03-21 17:58:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013588 |
|---|
| Frequency | 328.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO4 |
|---|
| Molecular Mass | 187.0845 |
|---|
| SMILES | CC(C)=CC(NCC(=O)O)C(=O)O |
|---|
| InChI Key | JUKHXAYYWUYWTJ-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidmethyl-branched fatty acidamino acidsecondary aminebranched fatty acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
