Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040005
Common NameAnandamide (20:3, n-3)
Systematic NameN-(11Z,14Z,17Z-eicosatrienoyl)-ethanolamine
SynonymsN-cis-11, 14,17-eicosatrienoylethanolamine
Exact Mass
349.2981 (neutral)    Calculate m/z:
FormulaC22H39NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7005
PubChem CID5283447
SWISSLIPIDS IDSLM:000598138
InChIKeyIGERBKTWMBMXMC-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-
21-24/h3-4,6-7,9-10,24H,2,5,8,11-21H2,1H3,(H,23,25)/b4-3-,7-6-,10-9-
SMILESC(C/C=C\C/C=C\C/C=C\CC)CCCCCCCC(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
407.18Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.03Molar
Refractivity
109.57