CHEBI:45698 - 3,3'-diiodo-L-thyronine

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ChEBI Name 3,3'-diiodo-L-thyronine ChEBI ID CHEBI:45698 ChEBI ASCII Name 3,3'-diiodo-L-thyronine Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:35429, CHEBI:45695 Supplier Information ZINC000004096458 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H13I2NO4 Net Charge 0 Average Mass 525.07700 Monoisotopic Mass 524.89340 InChI InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1 InChIKey CPCJBZABTUOGNM-LBPRGKRZSA-N SMILES N[C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3,3'-diiodo-L-thyronine (CHEBI:45698) has role human metabolite (CHEBI:77746) 3,3'-diiodo-L-thyronine (CHEBI:45698) is a 3,3'-diiodothyronine (CHEBI:35430) 3,3'-diiodo-L-thyronine (CHEBI:45698) is tautomer of 3,3'-diiodo-L-thyronine zwitterion (CHEBI:176514) Incoming 3,3'-diiodo-L-thyronine sulfate (CHEBI:35431) has functional parent 3,3'-diiodo-L-thyronine (CHEBI:45698) 3,3'-diiodo-L-thyronine zwitterion (CHEBI:176514) is tautomer of 3,3'-diiodo-L-thyronine (CHEBI:45698) IUPAC Name 3,3'-diiodo-L-thyronine Synonyms Sources (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid ChEBI 3,3'-DEIODO-THYROXINE PDBeChem O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine IUPAC Manual Xref Database T33 PDBeChem View more database links Registry Numbers Types Sources 2776147 Beilstein Registry Number Beilstein 4604-41-5 CAS Registry Number ChemIDplus Last Modified 20 November 2024