Metabolomics Structure Database

MW REGNO: 51108
Common Name:Sedoheptulose 1,7-bisphosphate
Systematic Name:D-altro-hept-2-ulose 1,7-bis(dihydrogen phosphate)
RefMet Name:Sedoheptulose 1,7-bisphosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
370.0066 (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:Monosaccharide phosphates [C0001541]
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:164735
CHEBI ID:17969
KEGG ID:C00447
Plant Metabolite Hub(Pmhub):MS000016875

Calculated physicochemical properties (?):

Heavy Atoms: 22  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 10  
van der Waals Molecular volume: 280.95 Å3 molecule-1  
Toplogical Polar Sufrace Area: 231.51 Å2 molecule-1  
Hydrogen Bond Donors: 8  
Hydrogen Bond Acceptors: 13  
logP: -1.39  
Molar Refractivity: 67.51  
Fraction sp3 Carbons: 0.86  
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