| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:35:15 UTC |
|---|
| Update Date | 2025-03-21 17:56:54 UTC |
|---|
| HMDB ID | HMDB0061716 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004425 |
|---|
| Name | N-methylvaline |
|---|
| Frequency | 1270.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO2 |
|---|
| Molecular Mass | 131.0946 |
|---|
| SMILES | CNC(C(=O)O)C(C)C |
|---|
| InChI Key | AKCRVYNORCOYQT-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminemethyl-branched fatty acidvaline or derivativessecondary aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
