Metabolomics Structure Database
|
MW REGNO: | 87102 |
Common Name: | Estradiol cypionate |
Systematic Name: | Estradiol, 17-cyclopentanepropionate |
RefMet Name: | Estradiol cypionate |
Synonyms: | Depoestradiol [PubChem Synonyms] |
Exact Mass: | |
Formula: | C26H36O3 |
InChIKey: | UOACKFBJUYNSLK-XRKIENNPSA-N |
LIPID MAPS Category: | Sterol Lipids [ST] |
LIPID MAPS mainclass: | Steroids [ST02] |
LIPID MAPS subclass: | C18 steroids (estrogens) and derivatives [ST0201] |
SMILES: | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
Calculated physicochemical properties:
No data available
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