| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:53:46 UTC |
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| Update Date | 2025-03-21 18:03:58 UTC |
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| HMDB ID | HMDB0246007 |
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| Metabolite Identification |
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| DeepMet ID | DMID00047601 |
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| Name | 3,3'-Diiodothyronine-4-sulfate |
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| Frequency | 69.9 |
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| Structure | |
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| Chemical Formula | C15H13I2NO7S |
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| Molecular Mass | 604.8502 |
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| SMILES | NC(Cc1ccc(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O |
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| InChI Key | NBAZIIRGURJZJA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganohalogen compoundiodobenzeneorganoiodidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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