Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040017
Common Nameα,α-dimethyl anandamide
Systematic NameN-(2,2-dimethy-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonymsα,α-dimethyl anandamide
Exact Mass
375.3137 (neutral)    Calculate m/z:
FormulaC24H41NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7046
PubChem CID5283456
InChIKeyGATFOXMZJHQECQ-GKFVBPDJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(27)
25-21-22-26/h8-9,11-12,14-15,17-18,26H,4-7,10,13,16,19-22H2,1-3H3,(H,25,27)/b9-8
-,12-11-,15-14-,18-17-
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)(C)C(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
439.14Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.45Molar
Refractivity
118.64