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CHEBI:533015 - 3,3',5-triiodo-L-thyronine zwitterion

ChEBI IDCHEBI:533015
ChEBI Name3,3',5-triiodo-L-thyronine zwitterion
Stars
ASCII Name3,3',5-triiodo-L-thyronine zwitterion
DefinitionThe amino acid zwitterion formed from 3,3',5-triiodo-L-thyronine by tranfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.
Last Modified24 October 2024
DownloadsMolfile
FormulaC15H12I3NO4
Net Charge0
Average Mass650.976
Monoisotopic Mass650.79005
SMILES[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-]
InChIInChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKeyAUYYCJSJGJYCDS-LBPRGKRZSA-N
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 zwitterion (CHEBI:533015) has role human metabolite (CHEBI:77746)
3,3',5-triiodo-L-thyronine zwitterion (CHEBI:533015) is a amino-acid zwitterion (CHEBI:35238)
3,3',5-triiodo-L-thyronine zwitterion (CHEBI:533015) is tautomer of 3,3',5-triiodo-L-thyronine (CHEBI:18258)
Incoming Relation(s)
3,3',5-triiodo-L-thyronine sulfate(1−) (CHEBI:176511) has functional parent 3,3',5-triiodo-L-thyronine zwitterion (CHEBI:533015)
3,3',5-triiodo-L-thyronine (CHEBI:18258) is tautomer of 3,3',5-triiodo-L-thyronine zwitterion (CHEBI:533015)
IUPAC Name 
(2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
Synonym  Source
(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acidChEMBL
UniProt Name  Source
3,3',5-triiodo-L-thyronineUniProt
Manual XrefsDatabases
LIOTHYRONINEMetaCyc