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

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ChEBI Name 3,3',5-triiodo-L-thyronine sulfate
ChEBI ID CHEBI:35432
ChEBI ASCII Name 3,3',5-triiodo-L-thyronine sulfate
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H12I3NO7S
Net Charge 0
Average Mass 731.03773
Monoisotopic Mass 730.74686
InChI InChI=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
InChIKey XBQYQXVJBNDCGY-LBPRGKRZSA-N
SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 Sources
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid ChEBI
triiodothyronine sulfate ChemIDplus
triiodothyronine sulfuric ester ChemIDplus
Registry Numbers Types Sources
31135-55-4 CAS Registry Number ChemIDplus
8171387 Beilstein Registry Number Beilstein
Last Modified
10 March 2014