CHEBI:58910 - thyroxine sulfate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thyroxine sulfate(1−)
ChEBI ID CHEBI:58910
ChEBI ASCII Name thyroxine sulfate(1-)
Definition Conjugate base of thyroxine sulfate having anionic carboxy and sulfate groups and the amino group protonated.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H10I4NO7S
Net Charge -1
Average Mass 855.92500
Monoisotopic Mass 855.63623
InChI InChI=1S/C15H11I4NO7S/c16-8-1-6(3-12(20)15(21)22)2-9(17)13(8)26-7-4-10(18)14(11(19)5-7)27-28(23,24)25/h1-2,4-5,12H,3,20H2,(H,21,22)(H,23,24,25)/p-1
InChIKey QYXIJUZWSSQICT-UHFFFAOYSA-M
SMILES [NH3+]C(Cc1cc(I)c(Oc2cc(I)c(OS([O-])(=O)=O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing thyroxine sulfate(1−) (CHEBI:58910) is a 3,3',5-triiodo-L-thyroninate (CHEBI:60308)
thyroxine sulfate(1−) (CHEBI:58910) is a phenyl sulfate oxoanion (CHEBI:140317)
thyroxine sulfate(1−) (CHEBI:58910) is conjugate base of thyroxine sulfate (CHEBI:53508)
Incoming L-thyroxine sulfate(1−) (CHEBI:176512) is a thyroxine sulfate(1−) (CHEBI:58910)
thyroxine sulfate (CHEBI:53508) is conjugate acid of thyroxine sulfate(1−) (CHEBI:58910)
IUPAC Name
2-azaniumyl-3-{4-[3,5-diiodo-4-(sulfonatooxy)phenoxy]-3,5-diiodophenyl}propanoate
Synonym Source
thyroxine sulfate UniProt
Last Modified
04 April 2018