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CHEBI:35432 - 3,3',5-triiodo-L-thyronine sulfate

ChEBI IDCHEBI:35432
ChEBI Name3,3',5-triiodo-L-thyronine sulfate
Stars
ASCII Name3,3',5-triiodo-L-thyronine sulfate
Last Modified10 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H12I3NO7S
Net Charge0
Average Mass731.040
Monoisotopic Mass730.74687
SMILESN[C@@H](Cc1cc(I)c(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1
InChIKeyXBQYQXVJBNDCGY-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,3',5-triiodo-L-thyronine sulfate (CHEBI:35432) has functional parent 3,3',5-triiodo-L-thyronine (CHEBI:18258)
3,3',5-triiodo-L-thyronine sulfate (CHEBI:35432) has role human metabolite (CHEBI:77746)
3,3',5-triiodo-L-thyronine sulfate (CHEBI:35432) is a O-sulfoamino acid (CHEBI:37862)
3,3',5-triiodo-L-thyronine sulfate (CHEBI:35432) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
Synonyms  Source
triiodothyronine sulfateChemIDplus
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acidChEBI
triiodothyronine sulfuric esterChemIDplus
Registry NumbersSources
Beilstein:8171387Beilstein
CAS:31135-55-4ChemIDplus