| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:39 UTC |
|---|
| Update Date | 2025-03-25 00:47:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161631 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17N3O2 |
|---|
| Molecular Mass | 235.1321 |
|---|
| SMILES | NCCC(NC(=O)Cc1ccccc1)C(N)=O |
|---|
| InChI Key | UWRQJWHOIVEPTG-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesprimary carboxylic acid amidessecondary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
