| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:37:17 UTC |
|---|
| Update Date | 2025-03-21 17:57:37 UTC |
|---|
| HMDB ID | HMDB0005874 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009124 |
|---|
| Name | 3-Bromotyrosine |
|---|
| Frequency | 531.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10BrNO3 |
|---|
| Molecular Mass | 258.9844 |
|---|
| SMILES | NC(Cc1ccc(O)c(Br)c1)C(=O)O |
|---|
| InChI Key | HGWOSUKIFQMEIF-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-bromophenolamphetamine or derivativestyrosine or derivativesbromobenzenearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
|---|
