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CHEBI:134267 - 3,5-diiodothyropropionic acid

ChEBI IDCHEBI:134267
ChEBI Name3,5-diiodothyropropionic acid
Stars
DefinitionA monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine.
Last Modified12 April 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC15H12I2O4
Net Charge0
Average Mass510.065
Monoisotopic Mass509.88250
SMILESO=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
InChIKeyWONYMNWUJVKVII-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,5-diiodothyropropionic acid (CHEBI:134267) is a aromatic ether (CHEBI:35618)
3,5-diiodothyropropionic acid (CHEBI:134267) is a monocarboxylic acid (CHEBI:25384)
3,5-diiodothyropropionic acid (CHEBI:134267) is a organoiodine compound (CHEBI:37142)
3,5-diiodothyropropionic acid (CHEBI:134267) is a phenols (CHEBI:33853)
IUPAC Name 
3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
Synonyms  Source
3,5-diiodo-4-(4-hydroxyphenoxy)hydrocinnamic acidSUBMITTER
DITPAChemIDplus
3,5-DitpaChemIDplus
3,5-diiodothyropropanoic acidChEBI
3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propionic acidChEBI
Registry NumbersSources
CAS:1158-10-7ChemIDplus