1.0 2011-09-21 00:18:30 UTC 2015-10-09 22:31:16 UTC FDB022723 3-Chlorotyrosine 3-Chlorotyrosine, a specific marker of myeloperoxidase-catalyzed oxidation, is markedly elevated in low density lipoprotein isolated from human atherosclerotic intima. (PMID 9151778) [HMDB] 3-Chloro-L-tyrosine Chlorotyrosine L-(8CI)-3-chloro-Tyrosine Monochlorotyrosine C9H10ClNO3 215.634 215.034920898 2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid monochlorotyrosine 7423-93-0 NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14) ACWBBAGYTKWBCD-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 chlorides Carbonyl compounds Carboxylic acids Chlorobenzenes Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives O-chlorophenols Organic oxides Organochlorides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 2-chlorophenol 2-halophenol 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzenoid Carbonyl group Carboxylic acid Chlorobenzene Halobenzene Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives Solid logp -1.65 ALOGPS logs -2.33 ALOGPS solubility 1.01e+00 g/l ALOGPS logp -0.89 ChemAxon pka_strongest_acidic 1.56 ChemAxon pka_strongest_basic 9.47 ChemAxon iupac 2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid ChemAxon average_mass 215.634 ChemAxon mono_mass 215.034920898 ChemAxon smiles NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O ChemAxon formula C9H10ClNO3 ChemAxon inchi InChI=1S/C9H10ClNO3/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 ACWBBAGYTKWBCD-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 51.9 ChemAxon polarizability 20.35 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1719 Specdb::NmrOneD 1779 Specdb::NmrOneD 102638 Specdb::NmrOneD 102639 Specdb::NmrOneD 102640 Specdb::NmrOneD 102641 Specdb::NmrOneD 102642 Specdb::NmrOneD 102643 Specdb::NmrOneD 102644 Specdb::NmrOneD 102645 Specdb::NmrOneD 102646 Specdb::NmrOneD 102647 Specdb::NmrOneD 102648 Specdb::NmrOneD 102649 Specdb::NmrOneD 102650 Specdb::NmrOneD 102651 Specdb::NmrOneD 102652 Specdb::NmrOneD 102653 Specdb::NmrOneD 102654 Specdb::NmrOneD 102655 Specdb::NmrOneD 102656 Specdb::NmrOneD 102657 Specdb::CMs 18285 Specdb::CMs 38169 Specdb::CMs 126942 Specdb::CMs 172470 Specdb::CMs 817132 Specdb::CMs 817133 Specdb::CMs 817134 Specdb::CMs 817135 Specdb::CMs 817136 Specdb::CMs 817137 Specdb::CMs 817138 Specdb::CMs 817139 Specdb::CMs 817140 Specdb::CMs 817141 Specdb::CMs 817142 Specdb::CMs 817143 Specdb::CMs 817144 Specdb::MsMs 1783 Specdb::MsMs 1784 Specdb::MsMs 1785 Specdb::MsMs 306535 Specdb::MsMs 306536 Specdb::MsMs 306537 Specdb::MsMs 350218 Specdb::MsMs 350219 Specdb::MsMs 350220 Specdb::MsMs 2228492 Specdb::MsMs 2228548 Specdb::MsMs 2230878 Specdb::MsMs 2233413 Specdb::MsMs 2233777 Specdb::MsMs 2235198 Specdb::MsMs 2235507 Specdb::MsMs 2240428 Specdb::MsMs 2241257 Specdb::MsMs 2398974 Specdb::MsMs 2398975 Specdb::MsMs 2398976 Specdb::MsMs 2535908 Specdb::MsMs 2535909 Specdb::MsMs 2535910 HMDB01885 #<Reference:0x000055ce32292128> #<Reference:0x000055ce32291f70> #<Reference:0x000055ce32291db8> #<Reference:0x000055ce32291c00> #<Reference:0x000055ce32291a48> #<Reference:0x000055ce32291890> #<Reference:0x000055ce322916d8> #<Reference:0x000055ce32291520> #<Reference:0x000055ce32291368> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823