RefMet Compound Details

MW structure47880 (View MW Metabolite Database details)
RefMet nameXi-Norepinephrine
Systematic name4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
SMILESc1cc(c(cc1C(CN)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass169.073894 (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
FormulaC8H11NO3View other entries in RefMet with this formula
InChIKeySFLSHLFXELFNJZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassPhenylethylamines
Pubchem CID951
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Xi-Norepinephrine

Rxn IDKEGG ReactionEnzyme
R02532 L-Noradrenaline + H2O + Oxygen <=> 3,4-Dihydroxymandelaldehyde + Ammonia + Hydrogen peroxide4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol:oxygen oxidoreductase(deaminating)(flavin-containing)
R02533 S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-AdrenalineS-Adenosyl-L-methionine:phenylethanolamine N-methyltransferase
R02534 S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-NormetanephrineS-Adenosyl-L-methionine:catechol O-methyltransferase
R02535 Dopamine + Ascorbate + Oxygen <=> L-Noradrenaline + Dehydroascorbate + H2O3,4-dihydroxyphenetylamine,ascorbate:oxygen oxidoreductase (beta-hydroxylating)

Table of KEGG human pathways containing Xi-Norepinephrine

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 4