RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153827
RefMet nameDocosapentaenoic acid (22n-6)
Alternative nameFA 22:5(4Z,7Z,10Z,13Z,16Z)
Systematic name4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 22:5 View other entries in RefMet with this sum composition
Exact mass330.255880 (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
FormulaC22H34O2View other entries in RefMet with this formula
Molecular descriptors
Molfile3078 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-2
1H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyAVKOENOBFIYBSA-WMPRHZDHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Distribution of Docosapentaenoic acid (22n-6) in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Docosapentaenoic acid (22n-6)
External Links
Pubchem CID6441454
LIPID MAPSLMFA04000064
ChEBI ID65136
HMDB IDHMDB0001976
Chemspider ID4945614
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo