| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:40 UTC |
|---|
| Update Date | 2025-03-21 18:39:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126235 |
|---|
| Frequency | 20.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H24N2O5 |
|---|
| Molecular Mass | 288.1685 |
|---|
| SMILES | CC(NC(C(=O)O)C(C)C)C(=O)NC(C(=O)O)C(C)C |
|---|
| InChI Key | JGTFJFVQHKGVKH-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativessecondary aminecarboxamide groupbranched fatty acidn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
