RefMet Compound Details

MW structure2476 (View MW Metabolite Database details)
RefMet namePGC2
Systematic name9-oxo-15S-hydroxy-5Z,11Z,13E-prostatrienoic acid
SMILESCCCCC[C@@H](/C=C/C1=CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass334.214410 (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
FormulaC20H30O4View other entries in RefMet with this formula
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H
,23,24)/b7-4-,14-12+/t17-,18+/m0/s1
InChIKeyCMBOTAQMTNMTBD-KLASNZEFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassProstaglandins
Pubchem CID5280882
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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