| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:59 UTC |
|---|
| Update Date | 2025-03-25 00:51:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02185256 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11Cl2N3O |
|---|
| Molecular Mass | 271.0279 |
|---|
| SMILES | NC(=O)C(N)Cc1c[nH]c2cc(Cl)c(Cl)cc12 |
|---|
| InChI Key | FGSPUFOAJUSIJT-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 acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
|---|
| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupindoleorganochloridefatty amideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideazacycleheteroaromatic compoundindole or derivativescarboxamide grouparyl halideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
