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CHEBI:305790 - thyroxine zwitterion

ChEBI IDCHEBI:305790
ChEBI Namethyroxine zwitterion
Stars
DefinitionThe amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3.
Last Modified14 June 2021
DownloadsMolfile
FormulaC15H11I4NO4
Net Charge0
Average Mass776.872
Monoisotopic Mass776.68670
SMILES[NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-]
InChIInChI=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)
InChIKeyXUIIKFGFIJCVMT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
thyroxine zwitterion (CHEBI:305790) is a amino-acid zwitterion (CHEBI:35238)
thyroxine zwitterion (CHEBI:305790) is tautomer of thyroxine (CHEBI:30660)
Incoming Relation(s)
L-thyroxine zwitterion (CHEBI:58448) is a thyroxine zwitterion (CHEBI:305790)
thyroxine (CHEBI:30660) is tautomer of thyroxine zwitterion (CHEBI:305790)
IUPAC Name 
(2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
Synonym  Source
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionateChEMBL
UniProt Name  Source
thyroxineUniProt