Metabolomics Structure Database

 
MW REGNO: 71243
Common Name:CTK0I4642
Systematic Name:(2S)-2-amino-4-selanyl-butanoic acid
Synonyms:Butanoic acid, 2-amino-4-selenyl-, (S)-; C05698 [PubChem Synonyms]
Exact Mass:
182.9798 (neutral)    Calculate m/z:
Formula:C4H9NO2Se
InChIKey:RCWCGLALNCIQNM-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]
SMILES:N[C@@H](CC[SeH])C(=O)O
Studies:-

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External database links:

PubChem CID:15894949
HMDB ID:HMDB0004119
KEGG ID:C05698
Plant Metabolite Hub(Pmhub):MS000018836

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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