RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0050436
RefMet name	Selenocysteine
Systematic name	(2R)-2-amino-3-selanylpropanoic acid
Synonyms	PubChem Synonyms
Exact mass	168.964200 (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	C3H7NO2Se	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38283 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey	ZKZBPNGNEQAJSX-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H](C(=O)O)N)[SeH] 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 Selenocysteine 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 Selenocysteine
External Links
Pubchem CID	6326983
ChEBI ID	9093
KEGG ID	C05688
HMDB ID	HMDB0003288
Chemspider ID	23436
MetaCyc ID	L-SELENOCYSTEINE
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 Selenocysteine

Rxn ID	KEGG Reaction	Enzyme
R03599	L-Selenocysteine + Reduced acceptor <=> Hydrogen selenide + L-Alanine + Acceptor	L-selenocysteine selenide-lyase (L-alanine-forming)

Table of KEGG human pathways containing Selenocysteine

Pathway ID	Human Pathway	# of reactions
hsa00450	Selenocompound metabolism	1