| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:42 UTC |
|---|
| Update Date | 2025-03-21 18:31:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085410 |
|---|
| Frequency | 42.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15N3O3 |
|---|
| Molecular Mass | 237.1113 |
|---|
| SMILES | NCC(O)=NC(=O)C(N)Cc1ccc(O)cc1 |
|---|
| InChI Key | OVSLEJZHTVRHBM-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyliminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativespropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | n-acyliminemonocyclic benzene moietycarbonyl grouptyrosine or derivatives1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
|---|
