1.0 2011-09-21 00:34:41 UTC 2015-07-21 06:57:51 UTC FDB023784 3-Bromotyrosine 3-Bromotyrosine(BY) is generated from the halogenation of tyrosine residues in plasma proteins via the enzyme Eosinophil peroxidase. A significantly higher concentration of BY was observed in the urine from asthmatic patients than in that from healthy control subjects (PMID: 15196282). [HMDB] 3-Bromo-DL-tyrosine 3-Bromo-tyrosine Bromotyrosine C9H10BrNO3 260.085 258.984405838 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid 54788-30-6 NC(CC1=CC=C(O)C(Br)=C1)C(O)=O InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14) HGWOSUKIFQMEIF-UHFFFAOYSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Tyrosine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acids Amino acids Amphetamines and derivatives Aralkylamines Aryl bromides Bromobenzenes Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives O-bromophenols Organic oxides Organobromides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 2-bromophenol 2-halophenol 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl bromide Aryl halide Benzenoid Bromobenzene Carbonyl group Carboxylic acid Halobenzene Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives monocarboxylic acid Solid logp -1.29 ALOGPS logs -2.64 ALOGPS solubility 6.01e-01 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_acidic 0.99 ChemAxon pka_strongest_basic 9.48 ChemAxon iupac 2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid ChemAxon average_mass 260.085 ChemAxon mono_mass 258.984405838 ChemAxon smiles NC(CC1=CC=C(O)C(Br)=C1)C(O)=O ChemAxon formula C9H10BrNO3 ChemAxon inchi InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14) ChemAxon inchikey HGWOSUKIFQMEIF-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 54.72 ChemAxon polarizability 21.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16673 Specdb::CMs 38914 Specdb::CMs 167989 Specdb::NmrOneD 61272 Specdb::NmrOneD 61273 Specdb::NmrOneD 61274 Specdb::NmrOneD 61275 Specdb::NmrOneD 61276 Specdb::NmrOneD 61277 Specdb::NmrOneD 61278 Specdb::NmrOneD 61279 Specdb::NmrOneD 61280 Specdb::NmrOneD 61281 Specdb::NmrOneD 61282 Specdb::NmrOneD 61283 Specdb::NmrOneD 61284 Specdb::NmrOneD 61285 Specdb::NmrOneD 61286 Specdb::NmrOneD 61287 Specdb::NmrOneD 61288 Specdb::NmrOneD 61289 Specdb::NmrOneD 61290 Specdb::NmrOneD 61291 Specdb::MsMs 302842 Specdb::MsMs 302843 Specdb::MsMs 302844 Specdb::MsMs 345655 Specdb::MsMs 345656 Specdb::MsMs 345657 Specdb::MsMs 2755144 Specdb::MsMs 2755145 Specdb::MsMs 2755146 Specdb::MsMs 2953884 Specdb::MsMs 2953885 Specdb::MsMs 2953886 HMDB05874 #<Reference:0x000055ce320fd2e0>