CHEBI:35431 - 3,3'-diiodo-L-thyronine sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,3'-diiodo-L-thyronine sulfate
ChEBI ID CHEBI:35431
ChEBI ASCII Name 3,3'-diiodo-L-thyronine sulfate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H13I2NO7S
Net Charge 0
Average Mass 605.14120
Monoisotopic Mass 604.850
InChI InChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/t12-/m0/s1
InChIKey NBAZIIRGURJZJA-LBPRGKRZSA-N
SMILES N[C@@H](Cc1ccc(Oc2ccc(OS(O)(=O)=O)c(I)c2)c(I)c1)C(O)=O
ChEBI Ontology
Outgoing 3,3'-diiodo-L-thyronine sulfate (CHEBI:35431) has functional parent 3,3'-diiodo-L-thyronine (CHEBI:45698)
3,3'-diiodo-L-thyronine sulfate (CHEBI:35431) is a O-sulfoamino acid (CHEBI:37862)
3,3'-diiodo-L-thyronine sulfate (CHEBI:35431) is a aryl sulfate (CHEBI:37919)
IUPAC Name
3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
Synonyms Sources
3,3'-diiodothyronine-4-sulfate ChemIDplus
3,3'-T2 sulfate ChemIDplus
3,3'-T2S ChemIDplus
3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine ChemIDplus
Registry Numbers Types Sources
64192-57-0 CAS Registry Number ChemIDplus
8167585 Beilstein Registry Number Beilstein
Last Modified
13 April 2007