Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2
MW REGNO: 146656
Common Name:Amylamine
Systematic Name:pentan-1-amine
RefMet Name:Amylamine
Synonyms: [PubChem Synonyms]
Exact Mass:
87.1048 (neutral)    Calculate m/z:
Formula:C5H13N
InChIKey:DPBLXKKOBLCELK-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Primary amines [C0002450]
Massbank MS spectra:View MS spectra
SMILES:CCCCCN
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:8060
HMDB ID:HMDB0248371
Drugbank ID:DB02045
Plant Metabolite Hub(Pmhub):MS000087678

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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