| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:49 UTC |
|---|
| Update Date | 2025-03-21 18:01:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00035688 |
|---|
| Frequency | 99.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H24N4O3 |
|---|
| Molecular Mass | 332.1848 |
|---|
| SMILES | NC(CCCCNC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | REJKISVMGFTRTQ-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 | alpha amino acid amides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty amidefatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
