RefMet Compound Details

MW structure2398 (View MW Metabolite Database details)
RefMet nameTetranor-PGEM
Systematic name11R-hydroxy-9,15-dioxo-2,3,4,5-tetranor-prostan-1,20-dioic acid
SMILESC(CCC(=O)O)CC(=O)CC[C@@H]1[C@@H](CCC(=O)O)C(=O)C[C@H]1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass328.152205 (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
FormulaC16H24O7View other entries in RefMet with this formula
InChIInChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-
/m1/s1
InChIKeyZJAZCYLYLVCSNH-JHJVBQTASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassProstaglandins
Pubchem CID161468
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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