Metabolomics Structure Database

 
MW REGNO: 35034
Common Name:18:1-Glc-Sitosterol
Systematic Name:3-O-(6'-O-(9Z-octadecenoyl)-beta-D-glucopyranosyl)-stigmast-5-en-3beta-ol
RefMet Name:18:1-Glc-Sitosterol
Synonyms: [PubChem Synonyms]
Exact Mass:
840.6843 (neutral)    Calculate m/z:
Formula:C53H92O7
InChIKey:MEEONOMPSMYAQO-MBEOCFQISA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Stigmasterols and C24-ethyl derivatives [ST0104]
SMILES:CCCCCCCC/C=CCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@H]34)C2)O1)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo