T4A

3,3',5,5'-TETRAIODOTHYROACETIC ACID

Created:	2001-11-27
Last modified:	2011-06-04

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3 entries where T4A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

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Chemical Component Summary
Name	3,3',5,5'-TETRAIODOTHYROACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]ethanoic acid
Formula	C₁₄ H₈ I₄ O₄
Molecular Weight	747.829
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O
SMILES	CACTVS	3.341	OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	PPJYSSNKSXAVDB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01751
Name	Tetraiodothyroacetic acid
Groups	experimental
Synonyms	3,3',5,5'-tetraiodothyroacetic acid Tetraiodothyroacetic acid T4-ACETIC ACID ACETIC ACID, (4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL)- 3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid Tetrac
Categories	Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Thyroid Products
CAS number	67-30-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682