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CHEBI:53508 - thyroxine sulfate

ChEBI IDCHEBI:53508
ChEBI Namethyroxine sulfate
Stars
DefinitionAn iodothyronine having iodo substituents in the 3-, 3'-, 5- and 5'-positions and a sulfate group attached to the phenol function.
Last Modified23 October 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H11I4NO7S
Net Charge0
Average Mass856.936
Monoisotopic Mass856.64351
SMILESNC(Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=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)
InChIKeyQYXIJUZWSSQICT-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
thyroxine sulfate (CHEBI:53508) has functional parent thyroxine (CHEBI:30660)
thyroxine sulfate (CHEBI:53508) is a iodothyronine (CHEBI:24864)
thyroxine sulfate (CHEBI:53508) is conjugate acid of thyroxine sulfate(1−) (CHEBI:58910)
Incoming Relation(s)
thyroxine sulfate(1−) (CHEBI:58910) is conjugate base of thyroxine sulfate (CHEBI:53508)
IUPAC Name 
thyroxine 4-sulfate
Synonyms  Source
T4SSUBMITTER
Thyroxine-4-sulfateChemIDplus
T4 SulfateChemIDplus
Registry NumbersSources
CAS:77074-49-8ChemIDplus