Metabolomics Structure Database

 
MW REGNO: 37776
Common Name:Glucose 6-phosphate
Systematic Name:{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
RefMet Name:Glucose 6-phosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
260.0297 (neutral)    Calculate m/z:
Formula:C6H13O9P
InChIKey:NBSCHQHZLSJFNQ-GASJEMHNSA-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:OC1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |&1:3,10,12,14|
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:5958
CHEBI ID:4170
HMDB ID:HMDB0001401
KEGG ID:C00092
Chemspider ID:5743
METLIN ID:145
NP-MRD ID(NMR):NP0001389
EPA CompTox DB:DTXCID10207341

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

  logo