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CHEBI:58448 - L-thyroxine zwitterion

ChEBI IDCHEBI:58448
ChEBI NameL-thyroxine zwitterion
Stars
ASCII NameL-thyroxine zwitterion
DefinitionZwitterionic form of L-thyroxine.
Last Modified24 June 2021
DownloadsMolfile
FormulaC15H11I4NO4
Net Charge0
Average Mass776.872
Monoisotopic Mass776.68670
SMILES[NH3+][C@@H](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)/t12-/m0/s1
InChIKeyXUIIKFGFIJCVMT-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
L-thyroxine zwitterion (CHEBI:58448) is a thyroxine zwitterion (CHEBI:305790)
L-thyroxine zwitterion (CHEBI:58448) is tautomer of L-thyroxine (CHEBI:18332)
Incoming Relation(s)
L-thyroxine sulfate(1−) (CHEBI:176512) has functional parent L-thyroxine zwitterion (CHEBI:58448)
L-thyroxine (CHEBI:18332) is tautomer of L-thyroxine zwitterion (CHEBI:58448)
IUPAC Name 
(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
UniProt Name  Source
L-thyroxineUniProt