Metabolomics Structure Database

 
MW REGNO: 34489
Common Name:20-hydroxycholesterol
Systematic Name:cholest-5-en-3beta,20-diol
RefMet Name:20-Hydroxycholesterol
Synonyms:(20S)-20-Hydroxycholesterol; 20alpha-Hydroxycholesterol [PubChem Synonyms]
Exact Mass:
402.3498 (neutral)    Calculate m/z:
Formula:C27H46O2
InChIKey:MCKLJFJEQRYRQT-APGJSSKUSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:CC(C)CCC[C@@](C)([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:121935
LIPID MAPS ID:LMST01010201
CHEBI ID:1296
KEGG ID:C05500
MetaCyc ID:2-HYDROXY-CHOLESTEROL
Plant Metabolite Hub(Pmhub):MS000018749

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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