RefMet Compound Details

RefMet IDRM0153854
MW structure4560 (View MW Metabolite Database details)
RefMet nameN-Arachidonoyl GABA
Systematic nameN-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-gamma-aminobutyric acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass389.292994 (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
FormulaC24H39NO3View other entries in RefMet with this formula
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,
17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeyJKUDIEXTAYKJNX-DOFZRALJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty amides
Sub ClassN-acyl amines
Pubchem CID16759310
ChEBI ID132722
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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