RefMet Compound Details

RefMet IDRM0152848
MW structure2488 (View MW Metabolite Database details)
RefMet name15-Keto-PGE1
Systematic name9,15-dioxo-11R-hydroxy-13E-prostaenoic acid
SMILESCCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)C(=O)C[C@H]1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass352.224975 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H32O5View other entries in RefMet with this formula
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25
)/b13-12+/t16-,17-,19-/m1/s1
InChIKeyVXPBDCBTMSKCKZ-XQHNHVHJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassProstaglandins
Pubchem CID5280710
ChEBI ID15548
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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