CHEBI:305790 - thyroxine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thyroxine zwitterion
ChEBI ID CHEBI:305790
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H11I4NO4
Net Charge 0
Average Mass 776.87000
Monoisotopic Mass 776.687
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)
InChIKey XUIIKFGFIJCVMT-UHFFFAOYSA-N
SMILES [NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing thyroxine zwitterion (CHEBI:305790) is a amino acid zwitterion (CHEBI:35238)
thyroxine zwitterion (CHEBI:305790) is tautomer of thyroxine (CHEBI:30660)
Incoming 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
Synonyms Sources
2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate ChEMBL
thyroxine UniProt
Last Modified
24 January 2011