| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:26 UTC |
|---|
| Update Date | 2025-03-25 00:47:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161163 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H24BrN3O2 |
|---|
| Molecular Mass | 453.1052 |
|---|
| SMILES | NC(Cc1ccc(O)cc1)C(=O)NCCC(c1ccc(Br)cc1)c1ccccn1 |
|---|
| InChI Key | SPPZICNVPVZWTR-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl bromidesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundfatty amide1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundamphetamine or derivativestyrosine or derivativesalpha-amino acid amideazacycleheteroaromatic compoundhydroxypyridinebromobenzenecarboxamide grouparyl halidesecondary carboxylic acid amidepyridinephenylalanine or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
|---|
