Metabolomics Structure Database

 
MW REGNO: 34378
Common Name:25-hydroxy-cholesterol
Systematic Name:cholest-5-en-3beta,25-diol
RefMet Name:25-Hydroxycholesterol
Synonyms:25-OHC [PubChem Synonyms]
Exact Mass:
402.3498 (neutral)    Calculate m/z:
Formula:C27H46O2
InChIKey:INBGSXNNRGWLJU-ZHHJOTBYSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:65094
LIPID MAPS ID:LMST01010018
CHEBI ID:42977
HMDB ID:HMDB0006247
KEGG ID:C15519
MetaCyc ID:CPD-7285
Plant Metabolite Hub(Pmhub):MS000024641

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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