Metabolomics Structure Database
|
|
| MW REGNO: | 2373 |
| Common Name: | PGE2 |
| Systematic Name: | 9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid; Prostin E2 |
| RefMet Name: | PGE2 |
| Synonyms: | Prostaglandin E2; Dinoprostone [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C20H32O5 |
| InChIKey: | XEYBRNLFEZDVAW-ARSRFYASSA-N |
| LIPID MAPS Category: | Fatty Acyls [FA] |
| LIPID MAPS mainclass: | Eicosanoids [FA03] |
| LIPID MAPS subclass: | Prostaglandins [FA0301] |
| Massbank MS spectra: | View MS spectra |
| NP-MRD NMR spectra: | View NMR spectra |
| SMILES: | CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)C(=O)C[C@H]1O)O |
| Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
| PubChem CID: | 5280360 |
| LIPID MAPS ID: | LMFA03010003 |
| CHEBI ID: | 15551 |
| HMDB ID: | HMDB0001220 |
| KEGG ID: | C00584 |
| Chemspider ID: | 4444059 |
| METLIN ID: | 6089 |
| MetaCyc ID: | 5Z13E-15S-1115-DIHYDROXY-9-OXOPROS |
| NP-MRD ID(NMR): | NP0000938 |
| Marine Natural Products DB: | CMNPD6379 |
| Plant Metabolite Hub(Pmhub): | MS000000971 |
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
