RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0150273
RefMet nameColneleic acid
Systematic name9-[1'E,3'Z-dien-1'-yloxy]-non-8E-enoic acid
SynonymsPubChem Synonyms
Exact mass294.219495 (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
FormulaC18H30O3View other entries in RefMet with this formula
Molecular descriptors
Molfile4704 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7
-,16-13+,17-14+
InChIKeyHHZKKFXQEIBVEV-CXXUKANQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/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 Colneleic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Colneleic acid
External Links
Pubchem CID6441681
LIPID MAPSLMFA10000001
ChEBI ID60956
KEGG IDC19827
HMDB IDHMDB0030995
Chemspider ID4945820
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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