| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:03 UTC |
|---|
| Update Date | 2025-03-25 00:49:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176308 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24N2O5 |
|---|
| Molecular Mass | 324.1685 |
|---|
| SMILES | NC(Cc1ccc(OCC(O)CN2CCOCC2)cc1)C(=O)O |
|---|
| InChI Key | TZFAGKVCGWLOQT-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmorpholinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary alcoholstrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidalkyl aryl etherdialkyl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativesalcoholazacycle1,2-aminoalcoholtertiary aliphatic amineoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
