CHEBI:131194 - 3,3',5,5'-tetraiodothyroacetic acid

ChEBI IDCHEBI:131194
ChEBI Name3,3',5,5'-tetraiodothyroacetic acid
Stars
DefinitionA monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'.
Secondary ChEBI IDCHEBI:45954
Last Modified26 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H8I4O4
Net Charge0
Average Mass747.830
Monoisotopic Mass747.66015
SMILESO=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIInChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
InChIKeyPPJYSSNKSXAVDB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
thyroid hormone  Any hormone produced by the thyroid gland
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) has role apoptosis inducer (CHEBI:68495)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) has role human metabolite (CHEBI:77746)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) has role thyroid hormone (CHEBI:60311)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) is a 2-halophenol (CHEBI:53291)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) is a aromatic ether (CHEBI:35618)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) is a iodophenol (CHEBI:24863)
3,3',5,5'-tetraiodothyroacetic acid (CHEBI:131194) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
TetracChemIDplus
Tetraiodothyroacetic acidChemIDplus
3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acidChemIDplus
Acide 3,5,3',5'-tetraiodothyroacetiqueChemIDplus
Manual XrefsDatabases
T4APDBeChem
LSM-25628LINCS
DB01751DrugBank
CPD-11403MetaCyc
Registry NumbersSources
Reaxys:2173215Reaxys
CAS:67-30-1ChemIDplus
Citations