| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:33:48 UTC |
|---|
| Update Date | 2025-03-21 17:56:22 UTC |
|---|
| HMDB ID | HMDB0028763 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000979 |
|---|
| Name | Aspartyl-Threonine |
|---|
| Frequency | 5913.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O6 |
|---|
| Molecular Mass | 234.0852 |
|---|
| SMILES | CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)O |
|---|
| InChI Key | NTQDELBZOMWXRS-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 acidsaspartic acid and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
