| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:39:15 UTC |
|---|
| Update Date | 2025-03-21 17:58:20 UTC |
|---|
| HMDB ID | HMDB0304382 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013743 |
|---|
| Name | indole-3-acetyl-isoleucine |
|---|
| Frequency | 323.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20N2O3 |
|---|
| Molecular Mass | 288.1474 |
|---|
| SMILES | CCC(C)C(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | WPTUQMUCTTVOFW-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 | isoleucine and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
