Metabolomics Structure Database

 
MW REGNO: 34947
Common Name:Sitosterol
Systematic Name:stigmast-5-en-3beta-ol
Synonyms:beta-Sitosterol; 22,23-Dihydrostigmasterol; b-Sitosterol [PubChem Synonyms]
Exact Mass:
414.3862 (neutral)    Calculate m/z:
Formula:C29H50O
InChIKey:KZJWDPNRJALLNS-VJSFXXLFSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Stigmasterols and C24-ethyl derivatives [ST0104]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:222284
LIPID MAPS ID:LMST01040129
CHEBI ID:27693
HMDB ID:HMDB0000852
KEGG ID:C01753
Chemspider ID:192962
METLIN ID:169
BMRB ID:bmse000477
MetaCyc ID:CPD-4143

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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