RefMet Compound Details

MW structure37029 (View MW Metabolite Database details)
RefMet nameIodotyrosine
Systematic name(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
SMILESc1cc(c(cc1C[C@@H](C(=O)O)N)I)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass306.970546 (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
FormulaC9H10INO3View other entries in RefMet with this formula
InChIKeyUQTZMGFTRHFAAM-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID439744
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Iodotyrosine

Rxn IDKEGG ReactionEnzyme
R03539 Hydroiodic acid + 3-Iodo-L-tyrosine <=> Iodine + L-TyrosineHydroiodic acid + 3-Iodo-L-tyrosine <=> Iodine + L-Tyrosine
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 Iodotyrosine

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 2