RefMet Compound Details

MW structure	37056 (View MW Metabolite Database details)
RefMet name	Epinephrine
Systematic name	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
SMILES	CNC[C@@H](c1ccc(c(c1)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	183.089544 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C9H13NO3	View other entries in RefMet with this formula
InChI	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
InChIKey	UCTWMZQNUQWSLP-VIFPVBQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Phenylethylamines
Pubchem CID	5816
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Epinephrine

Rxn ID	KEGG Reaction	Enzyme
R02919	L-Adrenaline + H2O + Oxygen <=> 3,4-Dihydroxymandelaldehyde + Methylamine + Hydrogen peroxide	4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol:oxygen oxidoreductase(deaminating)(flavin-containing)
R02920	S-Adenosyl-L-methionine + L-Adrenaline <=> S-Adenosyl-L-homocysteine + L-Metanephrine	S-Adenosyl-L-methionine:catechol O-methyltransferase
R02533	S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-Adrenaline	S-Adenosyl-L-methionine:phenylethanolamine N-methyltransferase

Table of KEGG human pathways containing Epinephrine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	3