RefMet Compound Details

RefMet IDRM0139514
MW structure2817 (View MW Metabolite Database details)
RefMet name15-F2t-IsoP
Systematic name9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R]
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H](C[C@H]1O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass354.240626 (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
FormulaC20H34O5View other entries in RefMet with this formula
InChIInChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,
1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
InChIKeyPXGPLTODNUVGFL-NAPLMKITSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassIsoprostanes
Pubchem CID5282263
ChEBI ID34505
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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