RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0046981
RefMet name	Epinephrine
Systematic name	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37056 (Download molfile/View MW Metabolite Database details)
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
SMILES	CNC[C@@H](c1ccc(c(c1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Phenylethylamines
Distribution of Epinephrine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Epinephrine
External Links
Pubchem CID	5816
ChEBI ID	28918
KEGG ID	C00788
HMDB ID	HMDB0000068
Chemspider ID	5611
MetaCyc ID	L-EPINEPHRINE
EPA CompTox	DTXCID20196651
Spectral data for Epinephrine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
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
R02533	S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-Adrenaline	S-Adenosyl-L-methionine:phenylethanolamine N-methyltransferase
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

Table of KEGG human pathways containing Epinephrine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	3