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CHEBI:176512 - L-thyroxine sulfate(1−)

ChEBI IDCHEBI:176512
ChEBI NameL-thyroxine sulfate(1−)
Stars
ASCII NameL-thyroxine sulfate(1-)
DefinitionA thyroxine sulfate(1−) that has L-configuration. The major microspecies at pH 7.3.
Last Modified7 July 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H10I4NO7S
Net Charge-1
Average Mass855.928
Monoisotopic Mass855.63624
SMILES[NH3+][C@@H](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)/p-1/t12-/m0/s1
InChIKeyQYXIJUZWSSQICT-LBPRGKRZSA-M
ChEBI Ontology
Outgoing Relation(s)
L-thyroxine sulfate(1−) (CHEBI:176512) has functional parent L-thyroxine zwitterion (CHEBI:58448)
L-thyroxine sulfate(1−) (CHEBI:176512) is a thyroxine sulfate(1−) (CHEBI:58910)
IUPAC Name 
(2S)-2-azaniumyl-3-{4-[3,5-diiodo-4-(sulfonatooxy)phenoxy]-3,5-diiodophenyl}propanoate
UniProt Name  Source
L-thyroxine sulfateUniProt
Manual XrefsDatabases
CPD-11407MetaCyc