Metabolomics Structure Database

 
MW REGNO: 38471
Common Name:Se-Methylselenocysteine
Systematic Name:(2R)-2-amino-3-(methylselanyl)propanoic acid
RefMet Name:Se-Methylselenocysteine
Synonyms: [PubChem Synonyms]
Exact Mass:
182.9798 (neutral)    Calculate m/z:
Formula:C4H9NO2Se
InChIKey:XDSSPSLGNGIIHP-VKHMYHEASA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Alpha amino acids [C0002404]
MoNA MS spectra:View MS spectra
SMILES:C[Se]C[C@H](N)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:147004
CHEBI ID:27812
HMDB ID:HMDB0004113
KEGG ID:C05689
Chemspider ID:129633
METLIN ID:7019
MetaCyc ID:CPD-12024
Plant Metabolite Hub(Pmhub):MS000018829

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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