Ketcher 02261615312D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:131194

> <NAME>
3,3',5,5'-tetraiodothyroacetic acid

> <DEFINITION>
A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45954

> <SYNONYM>
Tetraiodothyroacetic acid; Tetrac; Acide 3,5,3',5'-tetraiodothyroacetique; 3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid

> <FORMULA>
C14H8I4O4

> <MASS>
747.829

> <MONOISOTOPIC_MASS>
747.66014

> <CHARGE>
0

> <SMILES>
O(C1=CC(=C(C(=C1)I)O)I)C=2C(=CC(=CC2I)CC(O)=O)I

> <INCHI>
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>
PPJYSSNKSXAVDB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
67-30-1

> <REAXYS_REGISTRY_NUMBER>
2173215

> <CHEMIDPLUS>
67-30-1

> <DRUGBANK_ACCESSION>
DB01751

> <LINCS_ACCESSION>
LSM-25628

> <METACYC_ACCESSION>
CPD-11403

> <PDBECHEM_ACCESSION>
T4A

> <PUBMED_CITATION>
23103412; 24214887; 25258542; 25628605; 25866761; 26041883; 26307023; 26384643; 26756636

$$$$