Metabolomics Structure Database

 
MW REGNO: 35394
Common Name:Cortisone
Systematic Name:17alpha,21-dihydroxypregn-4-ene-3,11,20-trione
Synonyms: [PubChem Synonyms]
Exact Mass:
360.1937 (neutral)    Calculate m/z:
Formula:C21H28O5
InChIKey:MFYSYFVPBJMHGN-ZPOLXVRWSA-N
LIPID MAPS Category:Sterol Lipids [LMST]
LIPID MAPS mainclass:Steroids [LMST02]
LIPID MAPS subclass:C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [LMST0203]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:222786
LIPID MAPS ID:LMST02030090
CHEBI ID:16962
HMDB ID:HMDB0002802
KEGG ID:C00762
Chemspider ID:193441
METLIN ID:271
BMRB ID:bmse000663
MetaCyc ID:CORTISONE
EPA CompTox DB:DTXCID90209222

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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