Metabolomics Structure Database

MW REGNO: 49892
Common Name:D-fructose 1,6-biphosphate
Systematic Name:D-fructofuranose 1,6-bisphosphate
RefMet Name:Fructose 1,6-bisphosphate
Synonyms:fructose-1,6-diphosphate [PubChem Synonyms]
Exact Mass:
339.9961 (neutral)    Calculate m/z:
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Hexose phosphates [C0002260]
Massbank MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:172313
KEGG ID:C00354
Plant Metabolite Hub(Pmhub):MS000008533

Calculated physicochemical properties (?):

Heavy Atoms: 20  
Rings: 1  
Aromatic Rings: 0  
Rotatable Bonds: 6  
van der Waals Molecular volume: 245.14 Å3 molecule-1  
Toplogical Polar Sufrace Area: 205.51 Å2 molecule-1  
Hydrogen Bond Donors: 7  
Hydrogen Bond Acceptors: 12  
logP: -0.59  
Molar Refractivity: 60.31  
Fraction sp3 Carbons: 1.00  
sp3 Carbons: 6  


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