Metabolomics Structure Database
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MW REGNO: | 35415 |
Common Name: | Hydrocortisone caproate |
Systematic Name: | 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate |
RefMet Name: | Hydrocortisone caproate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C27H40O6 |
InChIKey: | XZSVYVIYKBHVMV-FOMYWIRZSA-N |
LIPID MAPS Category: | Sterol Lipids [ST] |
LIPID MAPS mainclass: | Steroids [ST02] |
LIPID MAPS subclass: | C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203] |
SMILES: | CCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[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