Metabolomics Structure Database
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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: | |
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) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6279 |
CHEBI ID: | 6716 |
KEGG ID: | C07119 |
EPA CompTox DB: | DTXCID90209388 |
Plant Metabolite Hub(Pmhub): | MS000000942 |
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