Metabolomics Structure Database

 
MW REGNO: 37897
Common Name:3-Methylhistamine
Systematic Name:2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
Synonyms: [PubChem Synonyms]
Exact Mass:
125.0953 (neutral)    Calculate m/z:
Formula:C6H11N3
InChIKey:CPAGZVLINCPJEH-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:2-arylethylamines [C0004253]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:69520
CHEBI ID:114444
HMDB ID:HMDB0001861
Chemspider ID:62725
METLIN ID:6355
EPA CompTox DB:DTXCID40137142

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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