| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:43 UTC |
|---|
| Update Date | 2025-03-21 18:02:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037908 |
|---|
| Frequency | 92.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO4 |
|---|
| Molecular Mass | 175.0845 |
|---|
| SMILES | COC(=O)NC(C(=O)O)C(C)C |
|---|
| InChI Key | CEFVHPDFGLDQKU-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 | valine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmethylcarbamatesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidmethylcarbamatevaline or derivativesfatty acidcarbamic acid esterbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
