Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0HHHOHHOH
MW REGNO: 34554
Common Name:3-oxo-7alpha-hydroxycholesterol
Systematic Name:7alpha-hydroxy-cholest-5-en-3-one
RefMet Name:3-Oxo-7alpha-hydroxycholesterol
Synonyms:3-keto-7alpha-hydroxycholesterol; 7alpha-hydroxy-cholesten-3-one [PubChem Synonyms]
Exact Mass:
400.3341 (neutral)    Calculate m/z:
Formula:C27H44O2
InChIKey:RHAPOGOMBGUDQA-RQDYSCIWSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Sterols [ST01]
LIPID MAPS subclass:Cholesterol and derivatives [ST0101]
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)CC1=C[C@H]3O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:52931312
LIPID MAPS ID:LMST01010271
CHEBI ID:166807

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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