RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0108640
RefMet name	Normetanephrine
Systematic name	4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
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	70035 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1
InChIKey	YNYAYWLBAHXHLL-QMMMGPOBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COc1cc(ccc1O)[C@H](CN)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 Normetanephrine 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 Normetanephrine
External Links
Pubchem CID	688100
ChEBI ID	89951
KEGG ID	C05589
HMDB ID	HMDB0000819
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 Normetanephrine

Rxn ID	KEGG Reaction	Enzyme
R02534	S-Adenosyl-L-methionine + L-Noradrenaline <=> S-Adenosyl-L-homocysteine + L-Normetanephrine	S-Adenosyl-L-methionine:catechol O-methyltransferase
R04893	L-Normetanephrine + H2O + Oxygen <=> 3-Methoxy-4-hydroxyphenylglycolaldehyde + Ammonia + Hydrogen peroxide	L-Normetanephrine:oxygen oxidoreductase (deaminating) (copper-containing)

Table of KEGG human pathways containing Normetanephrine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	2