RefMet Compound Details

RefMet IDRM0012921
MW structure38344 (View MW Metabolite Database details)
RefMet name3,5-Diiodo-L-tyrosine
Systematic name(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESc1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass432.867198 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H9I2NO3View other entries in RefMet with this formula
InChIInChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKeyNYPYHUZRZVSYKL-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID9305
ChEBI ID15768
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3,5-Diiodo-L-tyrosine

Rxn IDKEGG ReactionEnzyme
R03208 2 3,5-Diiodo-L-tyrosine + Hydrogen peroxide <=> Thyroxine + Dehydroalanine + 2 H2O2 3,5-Diiodo-L-tyrosine + Hydrogen peroxide <=> Thyroxine + Dehydroalanine + 2 H2O
R03953 3-Iodo-L-tyrosine + 3,5-Diiodo-L-tyrosine + Hydrogen peroxide <=> Triiodothyronine + Dehydroalanine + 2 H2O3-Iodo-L-tyrosine + 3,5-Diiodo-L-tyrosine + Hydrogen peroxide <=> Triiodothyronine + Dehydroalanine + 2 H2O
R03973 Hydroiodic acid + 3,5-Diiodo-L-tyrosine <=> 3-Iodo-L-tyrosine + IodineHydroiodic acid + 3,5-Diiodo-L-tyrosine <=> 3-Iodo-L-tyrosine + Iodine

Table of KEGG human pathways containing 3,5-Diiodo-L-tyrosine

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 3
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