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

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ChEBI Name 3,3',5-triiodo-L-thyronine zwitterion
ChEBI ID CHEBI:533015
ChEBI ASCII Name 3,3',5-triiodo-L-thyronine zwitterion
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H12I3NO4
Net Charge 0
Average Mass 650.97350
Monoisotopic Mass 650.79004
InChI InChI=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
InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
SMILES [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O
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 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 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
Synonyms Sources
(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid ChEMBL
3,3',5-triiodo-L-thyronine UniProt
Manual Xref Database
CPD-10813 MetaCyc
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Last Modified
05 September 2014