Metabolomics Structure Database

 
MW REGNO: 37337
Common Name:Gluconic acid
Systematic Name:(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
196.0583 (neutral)    Calculate m/z:
Formula:C6H12O7
InChIKey:RGHNJXZEOKUKBD-SQOUGZDYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Sugar acids and derivatives [C0000215]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:10690
CHEBI ID:33198
HMDB ID:HMDB0000625
KEGG ID:C00257
Chemspider ID:10240
METLIN ID:345
BMRB ID:bmse000084
MetaCyc ID:GLUCONATE
EPA CompTox DB:DTXCID6022000

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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