RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0056642
RefMet name	Trimethylselenonium
Systematic name	trimethylselanium
Synonyms	PubChem Synonyms
Exact mass	124.986947 (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	C3H9Se	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49718 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1
InChIKey	BWJVPBNHAHLFAZ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[Se+](C)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organometallic compounds
Main Class	Organometallic compounds
Sub Class	Organoselenium compounds
Distribution of Trimethylselenonium 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 Trimethylselenonium
External Links
Pubchem CID	91580
ChEBI ID	77058
KEGG ID	C18872
HMDB ID	HMDB0042052
Chemspider ID	82691
EPA CompTox	DTXCID50103090
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 Trimethylselenonium

Rxn ID	KEGG Reaction	Enzyme
R09370	S-Adenosyl-L-methionine + Dimethyl selenide <=> S-Adenosyl-L-homocysteine + Trimethylselenonium	S-adenosyl-L-methionine:dimethyl-selenide Se-methyltransferase

Table of KEGG human pathways containing Trimethylselenonium

Pathway ID	Human Pathway	# of reactions
hsa00450	Selenocompound metabolism	1