Metabolomics Structure Database

 
MW REGNO: 34527
Common Name:5beta-Cholestane-3alpha,7alpha,12alpha,23R,25-pentol
Systematic Name:5b-Cholestane-3a,7a,12a,23R,25-pentol
Synonyms: [PubChem Synonyms]
Exact Mass:
452.3502 (neutral)    Calculate m/z:
Formula:C27H48O5
InChIKey:OXSBBBPDYVCAKC-DYGXNTOZSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:CC(C)(O)C[C@@H](O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](C[C@@H](O)[C@@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@@H]3O
Studies:Available studies(via PubChem CID)

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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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