RefMet Compound Details

MW structure2489 (View MW Metabolite Database details)
RefMet name19R-Hydroxy-PGE1
Systematic name7-[(1R,2R,3R)-2-[(E,3R,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid
SMILESC[C@H](CCC[C@@H](/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)C(=O)C[C@H]1O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass370.235540 (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
FormulaC20H34O6View other entries in RefMet with this formula
InChIInChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3
,(H,25,26)/b12-11+/t14-,15+,16-,17-,19-/m1/s1
InChIKeyQVVXWHIDRKRPMO-HESWFPMQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassProstaglandins
Pubchem CID35021765
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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