RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135913
RefMet name	Norepinephrine
Systematic name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Synonyms	PubChem Synonyms
Exact mass	169.073894 (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	C8H11NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37141 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKey	SFLSHLFXELFNJZ-QMMMGPOBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c(cc1[C@H](CN)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 Norepinephrine 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 Norepinephrine
External Links
Pubchem CID	439260
ChEBI ID	18357
KEGG ID	C00547
HMDB ID	HMDB0000216
Chemspider ID	388394
MetaCyc ID	NOREPINEPHRINE
EPA CompTox	DTXCID50197232
PhytoHub DB	PHUB000779
Spectral data for Norepinephrine 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 Norepinephrine

Rxn ID	KEGG Reaction	Enzyme
R02532	L-Noradrenaline + H2O + Oxygen <=> 3,4-Dihydroxymandelaldehyde + Ammonia + Hydrogen peroxide	4-[(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-Adrenaline	S-Adenosyl-L-methionine:phenylethanolamine N-methyltransferase
R02534	S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-Normetanephrine	S-Adenosyl-L-methionine:catechol O-methyltransferase
R02535	Dopamine + Ascorbate + Oxygen <=> L-Noradrenaline + Dehydroascorbate + H2O	3,4-dihydroxyphenetylamine,ascorbate:oxygen oxidoreductase (beta-hydroxylating)

Table of KEGG human pathways containing Norepinephrine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	4