3,5-Diiodo-DL-thyronine

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Systematic / IUPAC Name: 2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

ID: Reference13629

Other Names: AA-3668

Formula: C15H13I2NO4

Class: Endogenous Metabolites

Spectral Data

3,5-Diiodo-DL-thyronine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 6512
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2025 11:33:18 AM
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Identificators

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)
InChI Key ZHSOTLOTTDYIIK-UHFFFAOYSA-N
Canonical SMILES NC(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O
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Other Names AA-3668

In Other Databases

PubChem 44366756; 123675
Wikipedia 3,5-Diiodothyronine
ChEBI CHEBI:89575
ChEMBL CHEMBL150462
HMDb HMDB0000582
ChemSpider 110252