Metabolomics Structure Database

MW REGNO: 37496
Common Name:Trimethylamine
Systematic Name:trimethylamine
RefMet Name:Trimethylamine
Synonyms: [PubChem Synonyms]
Exact Mass:
59.0735 (neutral)    Calculate m/z:
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Trialkylamines [C0002239]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:1146
CHEBI ID:18139
KEGG ID:C00565
Chemspider ID:1114
BMRB ID:bmse000224
NP-MRD ID(NMR):NP0000850
EPA CompTox DB:DTXCID106238
Plant Metabolite Hub(Pmhub):MS000013594

Calculated physicochemical properties (?):

Heavy Atoms: 4  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 0  
van der Waals Molecular volume: 71.46 Å3 molecule-1  
Toplogical Polar Sufrace Area: 3.24 Å2 molecule-1  
Hydrogen Bond Donors: 0  
Hydrogen Bond Acceptors: 1  
logP: 0.18  
Molar Refractivity: 19.61  
Fraction sp3 Carbons: 1.00  
sp3 Carbons: 3  

Human Pathway links:

REACTOME pathways containing this metabolite


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