| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:15 UTC |
|---|
| Update Date | 2025-03-21 17:56:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002021 |
|---|
| Frequency | 3027.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H15NO4 |
|---|
| Molecular Mass | 189.1001 |
|---|
| SMILES | CC(C)CC(NCC(=O)O)C(=O)O |
|---|
| InChI Key | GMJKDYXVGSEHNB-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 | leucine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidsecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
