Metabolomics Structure Database

 
MW REGNO: 49890
Common Name:Gulono-1,4-lactone
Systematic Name:(3R,4S,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
RefMet Name:D-Gulonolactone
Synonyms:(3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-one [PubChem Synonyms]
Exact Mass:
178.0477 (neutral)    Calculate m/z:
Formula:C6H10O6
InChIKey:SXZYCXMUPBBULW-LECHCGJUSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Lactones [C0000050]
ClassyFire subclass:Gamma butyrolactones [C0001245]
ClassyFire direct parent:Gamma butyrolactones [C0001245]
Massbank MS spectra:View MS spectra
SMILES:C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O
Studies:Available studies (via RefMet name)

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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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