1.0 2016-05-22 03:42:46 UTC 2026-08-19 08:59:40 UTC Levothyroxine SmallMolecule Levothyroxine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 776.87 g/mol, Levothyroxine is a heavy molecule. It has the chemical formula C15H11I4NO4 and functions biologically as a thyroid hormone (PMC5811372). The compound is used as a treatment for hypothyroidism (PMC12695664, PMC12765874, PMC13024578, PMC1492602, PMC9869701). Its recorded protein targets include the thyroid hormone receptor alpha (THRA), thyroid hormone receptor beta (THRB), integrin alpha-V (ITGAV), and integrin beta-3 (ITGB3), where it acts as an agonist or binder. Levothyroxine is found in or released from 20 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is used in thyroid preparations. Other sources include food, food processing, and cookware, specifically in food preservation, processing meats, and the preparation of vinegar. It is also associated with household cleaning and consumer products, such as soap detergents, perfumes within detergents and soaps, tobacco product moisture control, non-electric simulated smoking devices, and cigar cigarettes. Additionally, it is found in electrical and electronic equipment, including antennas, electric switches, auxiliary devices, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes for the compound include oral, intravenous, intramuscular, and topical administration. (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid Thyroxine C15H11I4NO4 776.87 776.686681525 (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid levothyroxine 51-48-9 N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 XUIIKFGFIJCVMT-LBPRGKRZSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives 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 O-iodophenols Organic oxides Organoiodides Organopnictogen compounds Phenol ethers Phenoxy compounds 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 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 Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds 2-halophenol Biogenic amines L-phenylalanine derivative Other amino acids iodophenol non-proteinogenic L-alpha-amino acid thyroxine thyroxine Detected and Not Quantified Thyroid Hormone Synthesis SMP0000716 Carbimazole Action Pathway SMP0124888 Thyroxine Drug Metabolism Pathway SMP0145322 logp 3.73 logp 1.15 ALOGPS logs -4.94 ALOGPS solubility 8.98e-03 g/l ALOGPS logp 3.73 ChemAxon pka_strongest_acidic 0.27 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid ChemAxon average_mass 776.87 ChemAxon mono_mass 776.686681525 ChemAxon smiles N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O ChemAxon formula C15H11I4NO4 ChemAxon inchi InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 ChemAxon inchikey XUIIKFGFIJCVMT-LBPRGKRZSA-N ChemAxon polar_surface_area 92.78 ChemAxon refractivity 126.79 ChemAxon polarizability 49.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227da1e20> DB00451 5819 BE0000687 BE0000315 BE0003576 BE0001155