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CHEBI:89700 - 3-iodothyronamine

Default Structure
ChEBI IDCHEBI:89700
ChEBI Name3-iodothyronamine
Stars
DefinitionAn organoiodine compound that is benzene substituted by 4-hydroxyphenoxy, iodo, and 2-aminoethyl groups at positions 1, 2, and 4, respectively. It is a thyroid hormone metabolite and a potent agonist of trace amine-associated receptor 1.
Last Modified24 June 2024
DownloadsMolfile
FormulaC14H14INO2
Net Charge0
Average Mass355.175
Monoisotopic Mass355.00693
SMILESNCCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
InChIKeyXIINYOJWNGOUPF-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133blood serum) PubMed (21490071)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
anti-obesity agent  Any substance which is used to reduce or control weight.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
trace amine-associated receptor 1 agonist  An agonist that selectively binds to and activates trace amine-associated receptor 1.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
3-iodothyronamine (CHEBI:89700) has role anti-inflammatory agent (CHEBI:67079)
3-iodothyronamine (CHEBI:89700) has role anti-obesity agent (CHEBI:74518)
3-iodothyronamine (CHEBI:89700) has role apoptosis inhibitor (CHEBI:68494)
3-iodothyronamine (CHEBI:89700) has role cardioprotective agent (CHEBI:77307)
3-iodothyronamine (CHEBI:89700) has role human blood serum metabolite (CHEBI:85234)
3-iodothyronamine (CHEBI:89700) has role neuroprotective agent (CHEBI:63726)
3-iodothyronamine (CHEBI:89700) has role trace amine-associated receptor 1 agonist (CHEBI:228347)
3-iodothyronamine (CHEBI:89700) is a aromatic ether (CHEBI:35618)
3-iodothyronamine (CHEBI:89700) is a organoiodine compound (CHEBI:37142)
3-iodothyronamine (CHEBI:89700) is a phenols (CHEBI:33853)
3-iodothyronamine (CHEBI:89700) is a primary amino compound (CHEBI:50994)
3-iodothyronamine (CHEBI:89700) is conjugate base of 3-iodothyronamine(1+) (CHEBI:231647)
Incoming Relation(s)
3-iodothyronamine(1+) (CHEBI:231647) is conjugate acid of 3-iodothyronamine (CHEBI:89700)
IUPAC Name 
4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
Synonyms  Source
3-T1AMChEBI
3-T1AMChEBI
4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenolPDBeChem
T1AMChEBI
T1AMChEBI
Manual XrefsDatabases
3-IodothyronamineWikipedia
FDB111734FooDB
HMDB0060524HMDB
UJFPDBeChem
Registry NumbersSources
CAS:712349-95-6ChEBI
Citations