| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:54 UTC |
|---|
| Update Date | 2025-03-25 00:50:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180593 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21N2O4+ |
|---|
| Molecular Mass | 281.1496 |
|---|
| SMILES | C[N+](C)(C)CC(Cc1ccc(O)cc1)=NC(O)C(=O)O |
|---|
| InChI Key | OJTBQEGUFBXGLM-UHFFFAOYSA-O |
|---|
| 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 | 1-hydroxy-2-unsubstituted benzenoidsalkanolaminesalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary ketiminestetraalkylammonium salts |
|---|
| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidiminealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltalkanolaminetetraalkylammonium saltquaternary ammonium salthydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
