| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:07 UTC |
|---|
| Update Date | 2025-03-21 17:59:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022289 |
|---|
| Frequency | 185.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8BrNO3 |
|---|
| Molecular Mass | 256.9688 |
|---|
| SMILES | O=C(O)CNC(=O)c1ccc(Br)cc1 |
|---|
| InChI Key | PTMXKRQZWGCWGZ-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 4-halobenzoic acids and derivativesalpha amino acidsaryl bromidesbenzoyl derivativesbromobenzenescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbromobenzenebenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
|---|
