| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:42 UTC |
|---|
| Update Date | 2025-03-25 00:49:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173210 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H27N2O3+ |
|---|
| Molecular Mass | 259.2016 |
|---|
| SMILES | CCC(C)C(NC(=O)C(C)(C)[N+](C)(C)C)C(=O)O |
|---|
| InChI Key | GCQZHNXPSOOVGZ-UHFFFAOYSA-O |
|---|
| 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 | alpha amino acid amidesalpha amino acidsaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
