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CHEBI:30660 - thyroxine

ChEBI IDCHEBI:30660
ChEBI Namethyroxine
Stars
DefinitionAn iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.
Last Modified17 December 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H11I4NO4
Net Charge0
Average Mass776.872
Monoisotopic Mass776.68670
SMILESNC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChIInChI=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)
InChIKeyXUIIKFGFIJCVMT-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mitogen  A chemical substance that encourages a cell to commence cell division, triggering mitosis.
ChEBI Ontology
Outgoing Relation(s)
thyroxine (CHEBI:30660) has role mitogen (CHEBI:52290)
thyroxine (CHEBI:30660) is a 2-halophenol (CHEBI:53291)
thyroxine (CHEBI:30660) is a iodophenol (CHEBI:24863)
thyroxine (CHEBI:30660) is a iodothyronine (CHEBI:24864)
thyroxine (CHEBI:30660) is a non-proteinogenic α-amino acid (CHEBI:83925)
thyroxine (CHEBI:30660) is a tyrosine derivative (CHEBI:62761)
thyroxine (CHEBI:30660) is tautomer of thyroxine zwitterion (CHEBI:305790)
Incoming Relation(s)
thyroxine sulfate (CHEBI:53508) has functional parent thyroxine (CHEBI:30660)
D-thyroxine (CHEBI:30659) is a thyroxine (CHEBI:30660)
L-thyroxine (CHEBI:18332) is a thyroxine (CHEBI:30660)
thyroxine zwitterion (CHEBI:305790) is tautomer of thyroxine (CHEBI:30660)
IUPAC Name 
thyroxine
Synonyms  Source
ThxIUPAC
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosineChemIDplus
DL-ThyroxineChemIDplus
2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acidIUPAC
Registry NumbersSources
Beilstein:2228514Beilstein
CAS:300-30-1ChemIDplus
Citations