| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:36:23 UTC |
|---|
| Update Date | 2025-03-21 17:57:18 UTC |
|---|
| HMDB ID | HMDB0253926 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007029 |
|---|
| Name | Methyl valine |
|---|
| Frequency | 725.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO2 |
|---|
| Molecular Mass | 131.0946 |
|---|
| SMILES | COC(=O)C(N)C(C)C |
|---|
| InChI Key | CEMZBWPSKYISTN-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 acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvaline and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid estervaline or derivativesfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
