RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0031733
RefMet name	Selenomethionine
Systematic name	2-amino-4-(methylselanyl)butanoic acid
Synonyms	PubChem Synonyms
Exact mass	196.995500 (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	C5H11NO2Se	View other entries in RefMet with this formula
Molecular descriptors
Molfile	51981 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey	RJFAYQIBOAGBLC-BYPYZUCNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[Se]CC[C@@H](C(=O)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Selenomethionine 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 Selenomethionine
External Links
Pubchem CID	105024
ChEBI ID	30021
KEGG ID	C05335
HMDB ID	HMDB0003966
Spectral data for Selenomethionine standards
BMRB ID(NMR)	View NMR 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 Selenomethionine

Rxn ID	KEGG Reaction	Enzyme
R04770	L-Selenomethionine + H2O <=> Methaneselenol + Ammonia + 2-Oxobutanoate	Selenomethionine methanethiol-lyase (deaminating)
R04773	ATP + L-Selenomethionine + tRNA(Met) <=> AMP + Diphosphate + Selenomethionyl-tRNA(Met)	Selenomethionine:tRNAMet ligase (AMP-forming)
R09365	Selenohomocysteine + 5-Methyltetrahydropteroyltri-L-glutamate <=> L-Selenomethionine + Tetrahydropteroyltri-L-glutamate	5-methyltetrahydropteroyltri-L-glutamate:L-selenohomocysteine Se-methyltransferase

Table of KEGG human pathways containing Selenomethionine

Pathway ID	Human Pathway	# of reactions
hsa00450	Selenocompound metabolism	3