Metabolomics Structure Database

MW REGNO: 57547
Common Name:2-decaprenyl-6-methoxyphenol
Systematic Name:2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-6-methoxyphenol
Synonyms: [PubChem Synonyms]
Exact Mass:
804.6784 (neutral)    Calculate m/z:
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
NP-MRD NMR spectra:View NMR spectra

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External database links:

PubChem CID:25010760
CHEBI ID:50774
MetaCyc ID:CPD-9865
Natural Products Atlas ID:NP012936
NP-MRD ID(NMR):NP0021794
Plant Metabolite Hub(Pmhub):MS000220400

Calculated physicochemical properties (?):

Heavy Atoms: 59  
Rings: 1  
Aromatic Rings: 1  
Rotatable Bonds: 30  
van der Waals Molecular volume: 954.66 Å3 molecule-1  
Toplogical Polar Sufrace Area: 29.46 Å2 molecule-1  
Hydrogen Bond Donors: 1  
Hydrogen Bond Acceptors: 2  
logP: 18.45  
Molar Refractivity: 264.71  
Fraction sp3 Carbons: 0.54  
sp3 Carbons: 31  

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