| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:10 UTC |
|---|
| Update Date | 2025-03-21 18:07:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067319 |
|---|
| Frequency | 45.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H22N4O5 |
|---|
| Molecular Mass | 362.159 |
|---|
| SMILES | NC(CCCNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
|---|
| InChI Key | NLPQSJKXPVXZJJ-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-carbamoyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundindole or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
