Metabolomics Structure Database

 
MW REGNO: 43183
Common Name:Amantadine
Systematic Name:adamantan-1-amine
Synonyms: [PubChem Synonyms]
Exact Mass:
151.1361 (neutral)    Calculate m/z:
Formula:C10H17N
InChIKey:DKNWSYNQZKUICI-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Monoalkylamines [C0000469]
MoNA MS spectra:View MS spectra
SMILES:C1C2CC3CC1CC(C2)(C3)N
Studies:-

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External database links:

PubChem CID:2130
CHEBI ID:2618
HMDB ID:HMDB0015051
KEGG ID:C06818
Chemspider ID:2045
EPA CompTox DB:DTXCID502117
Plant Metabolite Hub(Pmhub):MS000001261

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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