RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0115773
RefMet name	Methylselenol
Systematic name	methaneselenol
Synonyms	PubChem Synonyms
Exact mass	95.947822 (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	CH4Se	View other entries in RefMet with this formula
Molecular descriptors
Molfile	63459 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/CH4Se/c1-2/h2H,1H3
InChIKey	APKHDKJWSHYLEU-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[SeH] 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 Methylselenol 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 Methylselenol
External Links
Pubchem CID	6327000
ChEBI ID	64685
KEGG ID	C05703
HMDB ID	HMDB0060488
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 Methylselenol

Rxn ID	KEGG Reaction	Enzyme
R04770	L-Selenomethionine + H2O <=> Methaneselenol + Ammonia + 2-Oxobutanoate	Selenomethionine methanethiol-lyase (deaminating)
R09366	Se-Methyl-L-selenocysteine + H2O <=> Pyruvate + Ammonia + Methaneselenol	Se-methyl-L-selenocysteine methaneselenol-lyase (deaminating
R09372	2 NADPH + 2 H+ + Methylselenic acid <=> 2 NADP+ + 2 H2O + Methaneselenol	methaneselenol:NADP+ oxidoreductase

Table of KEGG human pathways containing Methylselenol

Pathway ID	Human Pathway	# of reactions
hsa00450	Selenocompound metabolism	3