Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHOOHHH
MW REGNO: 87117
Common Name:11-Hydroxyandrostenedione
Systematic Name:11-Hydroxy-4-androstene-3,17-dione
RefMet Name:11-Hydroxyandrostenedione
Synonyms: [PubChem Synonyms]
Exact Mass:
302.1882 (neutral)    Calculate m/z:
Formula:C19H26O3
InChIKey:WSCUHXPGYUMQEX-CRIVMUBDSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Steroids [ST02]
LIPID MAPS subclass:C19 steroids (androgens) and derivatives [ST0202]
SMILES:C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC([C@H]21)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:108106
CHEBI ID:166766
Chemspider ID:97201

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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