Metabolomics Structure Database

 
MW REGNO: 37092
Common Name:Glycerol
Systematic Name:propane-1,2,3-triol
Synonyms: [PubChem Synonyms]
Exact Mass:
92.0473 (neutral)    Calculate m/z:
Formula:C3H8O3
InChIKey:PEDCQBHIVMGVHV-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Sugar alcohols [C0002210]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:753
CHEBI ID:17754
HMDB ID:HMDB0000131
KEGG ID:C00116
Chemspider ID:733
METLIN ID:105
BMRB ID:bmse000856
MetaCyc ID:GLYCEROL
EPA CompTox DB:DTXCID40662

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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