Metabolomics Structure Database

 
MW REGNO: 50748
Common Name:D-glucitol 6-phosphate
Systematic Name:6-O-phosphono-D-glucitol;D-glucitol 6-(dihydrogen phosphate)
Synonyms:D-Glucitol, 6-(dihydrogen phosphate); Sorbitol-6-phosphate [PubChem Synonyms]
Exact Mass:
262.0454 (neutral)    Calculate m/z:
Formula:C6H15O9P
InChIKey:GACTWZZMVMUKNG-SLPGGIOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Monosaccharide phosphates [C0001541]
Massbank MS spectra:View MS spectra
SMILES:C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:152306
CHEBI ID:17044

Calculated physicochemical properties (?):

Heavy Atoms: 16  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 7  
van der Waals Molecular volume: 211.30 Å3 molecule-1  
Toplogical Polar Sufrace Area: 167.91 Å2 molecule-1  
Hydrogen Bond Donors: 7  
Hydrogen Bond Acceptors: 9  
logP: -1.41  
Molar Refractivity: 51.86  
Fraction sp3 Carbons: 1.00  
sp3 Carbons: 6  

Human Pathway links:

REACTOME pathways containing this metabolite

References

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

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