Metabolomics Structure Database

MW REGNO: 38842
Common Name:3-Decaprenyl-4-hydroxybenzoic acid
Systematic Name:3-[(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]-4-hydroxybenzoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
818.6577 (neutral)    Calculate m/z:
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6454686
CHEBI ID:64136
Chemspider ID:4956995
Plant Metabolite Hub(Pmhub):MS000250894

Calculated physicochemical properties (?):

Heavy Atoms: 60  
Rings: 1  
Aromatic Rings: 1  
Rotatable Bonds: 30  
van der Waals Molecular volume: 960.81 Å3 molecule-1  
Toplogical Polar Sufrace Area: 57.53 Å2 molecule-1  
Hydrogen Bond Donors: 2  
Hydrogen Bond Acceptors: 3  
logP: 18.14  
Molar Refractivity: 265.12  
Fraction sp3 Carbons: 0.53  
sp3 Carbons: 30  

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