3,5-Diiodothyronine (CHEBI:89575)

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ChEBI Name	3,5-Diiodothyronine

ChEBI ID	CHEBI:89575

Stars	This entity has been manually annotated by a third party.

Supplier Information	eMolecules:976824, ZINC000001996369

Download	Molfile XML SDF

Wikipedia	License
Citraconic acid is an organic compound with the formula CH3C2H(CO2H)2. It is a white solid. The alkene is cis. The related trans alkene is called mesaconic acid. It is one of the pyrocitric acids formed upon the heating of citric acid. Citraconic acid can be produced, albeit inefficiently, by oxidation of xylene and methylbutanols. The acid displays the unusual property of spontaneously forming the anhydride, which, unlike maleic anhydride, is a liquid at room temperature. In the laboratory, citraconic acid can be produced by thermal isomerization of itaconic acid anhydride to give citraconic anhydride, which can be hydrolyzed to citraconic acid. The required itaconic acid anhydride is obtained by dry distillation of citric acid.
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Formula

C15H13I2NO4

Net Charge

Average Mass

525.078

Monoisotopic Mass

524.89340

InChI

InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)

InChIKey

ZHSOTLOTTDYIIK-UHFFFAOYSA-N

SMILES

IC1=CC(CC(N)C(O)=O)=CC(I)=C1OC2=CC=C(O)C=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

ChEBI Ontology
Outgoing	3,5-Diiodothyronine (CHEBI:89575) has functional parent α-amino acid (CHEBI:33704) 3,5-Diiodothyronine (CHEBI:89575) is a organonitrogen compound (CHEBI:35352) 3,5-Diiodothyronine (CHEBI:89575) is a organooxygen compound (CHEBI:36963)

Incoming	3,5-diiodo-L-thyronine zwitterion (CHEBI:232626) is a 3,5-Diiodothyronine (CHEBI:89575)

Synonyms	Sources
(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine	HMDB
2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid	HMDB
3',5'-Diiodothyronine	HMDB
3,5-Diiodo-D-thyronine	HMDB
3,5-Diiodo-dl-thryronine	HMDB
3,5-Diiodo-DL-thyronine	HMDB
3,5-Diiodo-L-thyronine	HMDB
3,5-T2	HMDB
4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine	HMDB
D-O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine	HMDB
Diiodo-L-thyronine	HMDB
Diiodothyronine	HMDB
DL-3,5-Diiodothyronine	HMDB
DL-Diiodothyronine	HMDB
L-3,5-Diiodothyronine	HMDB
L-O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine	HMDB
O-(4-Hydroxyphenyl)-3,5-diiodo-Tyrosine	HMDB

Registry Number	Type	Source
534-51-0	CAS Registry Number	KEGG COMPOUND