Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53278
Common Name:	Medroxyprogesterone acetate
Systematic Name:	(6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate
RefMet Name:	Medroxyprogesterone acetate
Synonyms:	(6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione; 17-Acetoxy-6alpha-methylprogesterone; 17alpha-Hydroxy-6alpha-methylprogesterone acetate; 6-alpha-Methyl-17-alpha-acetoxyprogesterone; 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate; 6alpha-Methyl-17-acetoxy progesterone; 6alpha-Methyl-17alpha-hydroxyprogesterone acetate; 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate; Medroxyacetate progesterone; Medroxyprogesterone 17-acetate; Medroxyprogesterone acetate; Methylacetoxyprogesterone; Metigestrona [PubChem Synonyms]
Exact Mass:	386.2457 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C24H34O4
InChIKey:	PSGAAPLEWMOORI-PEINSRQWSA-N
LIPID MAPS Category:	Sterol Lipids [ST]
LIPID MAPS mainclass:	Steroids [ST02]
LIPID MAPS subclass:	C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
MoNA MS spectra:	View MS spectra
SMILES:	C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(C(=O)C)OC(=O)C)[C@@]2(C)CCC(=O)C=C12
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