Metabolomics Structure Database

 
MW REGNO: 49825
Common Name:Galactose
Systematic Name:(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
RefMet Name:Galactose
Synonyms:(3R,4S,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol [PubChem Synonyms]
Exact Mass:
180.0634 (neutral)    Calculate m/z:
Formula:C6H12O6
InChIKey:WQZGKKKJIJFFOK-SVZMEOIVSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Hexoses [C0001498]
MoNA MS spectra:View MS spectra
SMILES:C([C@@H]1[C@@H]([C@@H]([C@H](C(O)O1)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6036
HMDB ID:HMDB0033704
KEGG ID:C00124
EPA CompTox DB:DTXCID10196988

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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