CHEBI:57261 - 3,3',5'-triiodo-L-thyronine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,3',5'-triiodo-L-thyronine zwitterion
ChEBI ID CHEBI:57261
ChEBI ASCII Name 3,3',5'-triiodo-L-thyronine zwitterion
Definition Zwitterionic form of 3,3',5'-triiodo-L-thyronine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H12I3NO4
Net Charge 0
Average Mass 650.97350
Monoisotopic Mass 650.79004
InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
InChIKey HZCBWYNLGPIQRK-LBPRGKRZSA-N
SMILES [NH3+][C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing 3,3',5'-triiodo-L-thyronine zwitterion (CHEBI:57261) is a amino acid zwitterion (CHEBI:35238)
3,3',5'-triiodo-L-thyronine zwitterion (CHEBI:57261) is tautomer of 3,3',5'-triiodo-L-thyronine (CHEBI:11684)
Incoming 3,3',5'-triiodo-L-thyronine sulfate(1−) (CHEBI:176513) has functional parent 3,3',5'-triiodo-L-thyronine zwitterion (CHEBI:57261)
3,3',5'-triiodo-L-thyronine (CHEBI:11684) is tautomer of 3,3',5'-triiodo-L-thyronine zwitterion (CHEBI:57261)
IUPAC Name
(2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoate
Synonym Source
3,3',5'-triiodo-L-thyronine UniProt
Last Modified
07 July 2015