1.0 2011-09-21 00:25:51 UTC 2015-10-09 22:33:06 UTC FDB023181 3,5-Diiodo-L-tyrosine A product from the iodination of monoiodotyrosine. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (thyroxine and triiodothyronine). [HMDB] (2S)-2-amino-3-(4-Hydroxy-3,5-diiodophenyl)propanoate (2S)-2-amino-3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid 3,5-Diiodotyrocine 3,5-Diiodotyrosine 3,5-Iodo-L-tyrosine 3,5-L-Diiodotyrosine 4-Hydroxy-3,5-diiodophenylalanine Diiodotyrosine DiIY DIT L-3,5-DiioDOTyrosine L-Diiodotyrosine C9H9I2NO3 432.9816 432.867179999 (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid 3,5-diiodotyrosine 300-39-0 [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 NYPYHUZRZVSYKL-ZETCQYMHSA-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 Amino acids Amphetamines and derivatives Aralkylamines Aryl iodides Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Iodobenzenes L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives O-iodophenols Organic oxides Organoiodides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids 2-halophenol 2-iodophenol 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzenoid Carbonyl group Carboxylic acid Halobenzene Hydrocarbon derivative Iodobenzene L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives L-tyrosine derivative Other amino acids diiodotyrosine non-proteinogenic L-alpha-amino acid Solid logp -0.70 ALOGPS logs -2.92 ALOGPS solubility 5.19e-01 g/l ALOGPS logp 0.37 ChemAxon pka_strongest_acidic 0.48 ChemAxon pka_strongest_basic 9.45 ChemAxon iupac (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid ChemAxon average_mass 432.9816 ChemAxon mono_mass 432.867179999 ChemAxon smiles [H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O ChemAxon formula C9H9I2NO3 ChemAxon inchi InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 ChemAxon inchikey NYPYHUZRZVSYKL-ZETCQYMHSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 73.82 ChemAxon polarizability 29.1 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Tyrosine Metabolism SMP00006 map00350 Specdb::NmrTwoD 1909 Specdb::NmrOneD 1974 Specdb::NmrOneD 10602 Specdb::NmrOneD 10603 Specdb::NmrOneD 10604 Specdb::NmrOneD 10605 Specdb::NmrOneD 10606 Specdb::NmrOneD 10607 Specdb::NmrOneD 10608 Specdb::NmrOneD 10609 Specdb::NmrOneD 10610 Specdb::NmrOneD 10611 Specdb::NmrOneD 10612 Specdb::NmrOneD 10613 Specdb::NmrOneD 10614 Specdb::NmrOneD 10615 Specdb::NmrOneD 10616 Specdb::NmrOneD 10617 Specdb::NmrOneD 10618 Specdb::NmrOneD 10619 Specdb::NmrOneD 10620 Specdb::NmrOneD 10621 Specdb::CMs 2038 Specdb::CMs 8470 Specdb::CMs 31465 Specdb::CMs 38612 Specdb::CMs 172762 Specdb::MsMs 6395 Specdb::MsMs 6396 Specdb::MsMs 6397 Specdb::MsMs 6398 Specdb::MsMs 6399 Specdb::MsMs 6400 Specdb::MsMs 6401 Specdb::MsMs 6402 Specdb::MsMs 6403 Specdb::MsMs 6404 Specdb::MsMs 259881 Specdb::MsMs 259882 Specdb::MsMs 259883 Specdb::MsMs 279819 Specdb::MsMs 279820 Specdb::MsMs 279821 Specdb::MsMs 374971 Specdb::MsMs 437554 Specdb::MsMs 437555 Specdb::MsMs 437556 Specdb::MsMs 437557 Specdb::MsMs 437558 Specdb::MsMs 446014 Specdb::MsMs 446015 Specdb::MsMs 446016 HMDB03474 15768 TYI #<Reference:0x000055ce319c8858> #<Reference:0x000055ce319c8678> #<Reference:0x000055ce319c8448> 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