Metabolomics Structure Database

 
MW REGNO: 41130
Common Name:Se-Adenosylselenomethionine
Systematic Name:(3-amino-3-carboxypropyl)({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylselanium
RefMet Name:Se-Adenosylselenomethionine
Synonyms: [PubChem Synonyms]
Exact Mass:
447.0895 (neutral)    Calculate m/z:
Formula:C15H23N6O5Se
InChIKey:GGJFWMOVUFBSIN-YDBXVIPQSA-O
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:5'-deoxyribonucleosides [C0004502]
ClassyFire subclass:5'-deoxyribonucleosides [C0004502]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
SMILES:C[Se+](CCC(N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:24892761
HMDB ID:HMDB0011118
KEGG ID:C05691
Plant Metabolite Hub(Pmhub):MS000018831

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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