Metabolomics Structure Database

 
MW REGNO: 49886
Common Name:6-deoxyglucitol
Systematic Name:(2S,3R,4R,5R)-hexane-1,2,3,4,5-pentol
RefMet Name:6-Deoxyglucitol
Synonyms:(2S,3R,4R,5R)-hexane-1,2,3,4,5-pentol [PubChem Synonyms]
Exact Mass:
166.0800 (neutral)    Calculate m/z:
Formula:C6H14O5
InChIKey:SKCKOFZKJLZSFA-JGWLITMVSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Hexoses [C0001498]
NP-MRD NMR spectra:View NMR spectra
SMILES:C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:151266
CHEBI ID:166507
NP-MRD ID(NMR):NP0031480

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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