| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:23 UTC |
|---|
| Update Date | 2025-03-25 00:45:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152021 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O4 |
|---|
| Molecular Mass | 252.111 |
|---|
| SMILES | NC(CC(NCC(=O)O)c1ccccc1)C(=O)O |
|---|
| InChI Key | KPNDTTSATDZKHV-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidsecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
