RefMet Compound Details

MW structure37030 (View MW Metabolite Database details)
RefMet name3-Methoxytyramine
Systematic name4-(2-aminoethyl)-2-methoxyphenol
SMILESCOc1cc(CCN)ccc1O
Exact mass167.094629 (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
FormulaC9H13NO2View other entries in RefMet with this formula
InChIInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKeyDIVQKHQLANKJQO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenols
Sub ClassMethoxyphenols
Pubchem CID1669
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Methoxytyramine

Rxn IDKEGG ReactionEnzyme
R04890 3-Methoxytyramine + H2O + Oxygen <=> 3-Methoxy-4-hydroxyphenylacetaldehyde + Hydrogen peroxide + Ammonia3-Methoxytyramine:oxygen oxidoreductase (deaminating) (copper-containing)
R04301 S-Adenosyl-L-methionine + Dopamine <=> S-Adenosyl-L-homocysteine + 3-MethoxytyramineS-Adenosyl-L-methionine:catechol O-methyltransferase

Table of KEGG human pathways containing 3-Methoxytyramine

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 2
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