RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0150855
RefMet nameColnelenic acid
Systematic name9-[1'E,3'Z,6'Z-trien-1'-yloxy]-non-8E-enoic acid
SynonymsPubChem Synonyms
Exact mass292.203845 (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
FormulaC18H28O3View other entries in RefMet with this formula
Molecular descriptors
Molfile4705 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)
/b4-3-,10-7-,16-13+,17-14+
InChIKeyOYKAXBUWOIRLGF-VMBRNALUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty ethers
Sub ClassFatty ethers
Distribution of Colnelenic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Colnelenic acid
External Links
Pubchem CID6441679
LIPID MAPSLMFA10000002
ChEBI ID60959
KEGG IDC16320
HMDB IDHMDB0030996
Chemspider ID4945818
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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