| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:52 UTC |
|---|
| Update Date | 2025-03-21 18:35:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00105120 |
|---|
| Frequency | 25.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H22N2O4 |
|---|
| Molecular Mass | 258.158 |
|---|
| SMILES | CCC(C)C(NC(=O)C(N)CCCC=O)C(=O)O |
|---|
| InChI Key | RZKAEYKZAUZXTK-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 | alpha amino acid amidesalpha amino acidsalpha-hydrogen aldehydescarboxylic acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidaldehydecarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
