| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:37:07 UTC |
|---|
| Update Date | 2025-03-21 17:57:34 UTC |
|---|
| HMDB ID | HMDB0039500 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00008752 |
|---|
| Name | N-Malonyltryptophan |
|---|
| Frequency | 611.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14N2O5 |
|---|
| Molecular Mass | 290.0903 |
|---|
| SMILES | O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | OVEAWSPZRGBTSS-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 heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
