Metabolomics Structure Database

 
MW REGNO: 37685
Common Name:Glucosamine 6-phosphate
Systematic Name:{[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid
RefMet Name:Glucosamine 6-phosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
259.0457 (neutral)    Calculate m/z:
Formula:C6H14NO8P
InChIKey:XHMJOUIAFHJHBW-UKFBFLRUSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Hexose phosphates [C0002260]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439217
CHEBI ID:15873
HMDB ID:HMDB0001254
KEGG ID:C00352
Chemspider ID:388356
METLIN ID:6111
BMRB ID:bmse000189
NP-MRD ID(NMR):NP0001436

Calculated physicochemical properties (?):

Heavy Atoms: 16  
Rings: 1  
Aromatic Rings: 0  
Rotatable Bonds: 3  
van der Waals Molecular volume: 201.15 Å3 molecule-1  
Toplogical Polar Sufrace Area: 164.77 Å2 molecule-1  
Hydrogen Bond Donors: 6  
Hydrogen Bond Acceptors: 8  
logP: -1.08  
Molar Refractivity: 51.64  
Fraction sp3 Carbons: 1.00  
sp3 Carbons: 6  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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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