RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0009125
RefMet name	Metanephrine
Alternative name	L-Metanephrine
Systematic name	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-2-methoxy-phenol
Synonyms	PubChem Synonyms
Exact mass	197.105193 (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	C10H15NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	70034 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1
InChIKey	JWJCTZKFYGDABJ-VIFPVBQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CNC[C@@H](c1ccc(c(c1)OC)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Phenols
Sub Class	Methoxyphenols
Distribution of Metanephrine 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 Metanephrine
External Links
Pubchem CID	688084
ChEBI ID	89633
KEGG ID	C05588
HMDB ID	HMDB0062493
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 Metanephrine

Rxn ID	KEGG Reaction	Enzyme
R02920	S-Adenosyl-L-methionine + L-Adrenaline <=> S-Adenosyl-L-homocysteine + L-Metanephrine	S-Adenosyl-L-methionine:catechol O-methyltransferase
R04894	L-Metanephrine + H2O + Oxygen <=> 3-Methoxy-4-hydroxyphenylglycolaldehyde + Hydrogen peroxide + Methylamine	L-Metanephrine:oxygen oxidoreductase (deaminating) (flavin-containing)

Table of KEGG human pathways containing Metanephrine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	2