Metabolomics Structure Database

 
MW REGNO: 35442
Common Name:16,17-didehydroprogesterone
Systematic Name:pregna-4,16-diene-3,20-dione
RefMet Name:16,17-Didehydroprogesterone
Synonyms:16,17-Didehydroprogesterone; 16-Dehydroprogesterone; 3,20-dioxopregna-4,16-diene; Delta(4,16)-pregnadiene-3,20-dione [PubChem Synonyms]
Exact Mass:
312.2089 (neutral)    Calculate m/z:
Formula:C21H28O2
InChIKey:VRRHHTISESGZFN-RKFFNLMFSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Steroids [ST02]
LIPID MAPS subclass:C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Studies:Available studies (via RefMet name)

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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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