CHEBI:58448 - L-thyroxine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-thyroxine zwitterion
ChEBI ID CHEBI:58448
ChEBI ASCII Name L-thyroxine zwitterion
Definition Zwitterionic form of L-thyroxine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H11I4NO4
Net Charge 0
Average Mass 776.87000
Monoisotopic Mass 776.687
InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
InChIKey XUIIKFGFIJCVMT-LBPRGKRZSA-N
SMILES [NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
ChEBI Ontology
Outgoing L-thyroxine zwitterion (CHEBI:58448) is a amino acid zwitterion (CHEBI:35238)
L-thyroxine zwitterion (CHEBI:58448) is tautomer of L-thyroxine (CHEBI:18332)
Incoming L-thyroxine (CHEBI:18332) is tautomer of L-thyroxine zwitterion (CHEBI:58448)
IUPAC Name
(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
Synonym Source
L-thyroxine UniProt
Last Modified
29 October 2014