RefMet Compound Details

MW structure610 (View MW Metabolite Database details)
RefMet nameDHA
Alternative nameFA 22:6(4Z,7Z,10Z,13Z,16Z,19Z)
Systematic name4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
SMILESCC/C=C\C/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)
Sum CompositionFA 22:6 View other entries in RefMet with this sum composition
Exact mass328.240230 (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
FormulaC22H32O2View other entries in RefMet with this formula
InChIKeyMBMBGCFOFBJSGT-KUBAVDMBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID445580
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving DHA

Rxn IDKEGG ReactionEnzyme
R08180 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA + H2O <=> CoA + (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA + H2O <=> CoA + (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid

Table of KEGG human pathways containing DHA

Pathway IDHuman Pathway# of reactions
hsa01040 Biosynthesis of unsaturated fatty acids 1