RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0040772
RefMet name3-Methoxytyramine
Systematic name4-(2-aminoethyl)-2-methoxyphenol
SynonymsPubChem Synonyms
Exact mass167.094629 (neutral)
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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
Molecular descriptors
Molfile37030 (Download molfile/View MW Metabolite Database details)
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
SMILESCOc1cc(ccc1O)CCN
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassPhenylethylamines
Distribution of 3-Methoxytyramine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 3-Methoxytyramine
External Links
Pubchem CID1669
ChEBI ID1582
KEGG IDC05587
HMDB IDHMDB0000022
Chemspider ID1606
MetaCyc IDCPD-7650
Spectral data for 3-Methoxytyramine standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
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
R04301 S-Adenosyl-L-methionine + Dopamine <=> S-Adenosyl-L-homocysteine + 3-MethoxytyramineS-Adenosyl-L-methionine:catechol O-methyltransferase
R04890 3-Methoxytyramine + H2O + Oxygen <=> 3-Methoxy-4-hydroxyphenylacetaldehyde + Hydrogen peroxide + Ammonia3-Methoxytyramine:oxygen oxidoreductase (deaminating) (copper-containing)

Table of KEGG human pathways containing 3-Methoxytyramine

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 2
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