1.0 2011-09-21 00:23:57 UTC 2015-07-21 06:57:29 UTC FDB023056 Thyroxine sulfate Thyroxine Sulfate (abbreviated T4) is a major Thyroid hormone metabolite secreted by follicular cells of the Thyroid gland. T4 is transported in blood, with 99.95% of the secreted T4 being protein bound, principally to thyroxine binding globulin (TBG) and to a lesser extent to thyroxine binding pre-albumin (TBPA) and serum albumin. T4 is involved in controlling the rate of metabolic processes in the body and influencing physical development. T4 is considered a prohormone and a reservoir for the active thyroid hormone triiodothyronine (T3), T4 being converted as required in the tissues by deiodinases. [HMDB] 3-[4-(4-hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine 3-[4-(4-Hydroxy-3,5-diiodophenoxy-4-O-sulphate)-3,5-diiodophenyl]-L-alanine 3,5,3',5'-tetraiodo-L-thyronine 4-O-sulfate 3,5,3',5'-Tetraiodo-L-thyronine 4-O-sulphate 3,5,3',5'-tetraiodo-L-thyronine 4'-O-sulfate 3,5,3',5'-Tetraiodo-L-thyronine 4'-O-sulphate L-Thyroxine 4'-O-sulfate L-Thyroxine 4'-O-sulphate L-Thyroxine sulfate O-(4-hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine O-(4-Hydroxy-3,5-diiodophenyl-4-O-sulphate)-3,5-diiodo-L-tyrosine T4S Thyroxine sulfate Thyroxine sulfic acid Thyroxine sulphate C15H11I4NO7S 856.933 856.643496081 (2S)-2-amino-3-{4-[3,5-diiodo-4-(sulfooxy)phenoxy]-3,5-diiodophenyl}propanoic acid thyroxine sulfic acid 77074-49-8 N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1 QYXIJUZWSSQICT-LBPRGKRZSA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Phenylalanine 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 Diarylethers Diphenylethers Hydrocarbon derivatives Iodobenzenes L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organoiodides Organopnictogen compounds Phenol ethers Phenoxy compounds Phenylpropanoic acids Phenylsulfates Sulfuric acid monoesters 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl halide Aryl iodide Arylsulfate Benzenoid Carbonyl group Carboxylic acid Diaryl ether Diphenylether Ether Halobenzene Hydrocarbon derivative Iodobenzene L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenylalanine or derivatives Phenylsulfate Primary aliphatic amine Primary amine Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Solid logp 0.81 ALOGPS logs -5.26 ALOGPS solubility 4.71e-03 g/l ALOGPS logp 4.31 ChemAxon pka_strongest_acidic -3 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac (2S)-2-amino-3-{4-[3,5-diiodo-4-(sulfooxy)phenoxy]-3,5-diiodophenyl}propanoic acid ChemAxon average_mass 856.933 ChemAxon mono_mass 856.643496081 ChemAxon smiles N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O ChemAxon formula C15H11I4NO7S ChemAxon inchi InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/t12-/m0/s1 ChemAxon inchikey QYXIJUZWSSQICT-LBPRGKRZSA-N ChemAxon polar_surface_area 136.15 ChemAxon refractivity 136.78 ChemAxon polarizability 54.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55332 Specdb::MsMs 55333 Specdb::MsMs 55334 Specdb::MsMs 110463 Specdb::MsMs 110464 Specdb::MsMs 110465 Specdb::MsMs 3049592 Specdb::MsMs 3049593 Specdb::MsMs 3049594 Specdb::MsMs 3117542 Specdb::MsMs 3117543 Specdb::MsMs 3117544 HMDB02728 #<Reference:0x000055ce30915768> #<Reference:0x000055ce30915588> #<Reference:0x000055ce30915380> #<Reference:0x000055ce30915150> #<Reference:0x000055ce30914f70> 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 Type I iodothyronine deiodinase P49895 DIO1 Type II iodothyronine deiodinase Q92813 DIO2 Type III iodothyronine deiodinase P55073 DIO3