Structure database (LMSD)

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LM IDLMFA08040009
Common NameAnandamide (22:6, n-3)
Systematic NameN-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
SynonymsN-cis-4,7,10,13,16,19-docosahexanoylethanolamine; Synaptamide
Exact Mass
371.2824 (neutral)    Calculate m/z:
FormulaC24H37NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7009
PubChem CID5283451
HMDB IDHMDB0013658
SWISSLIPIDS IDSLM:000390118
CAYMAN ID10007534
InChIKeyGEEHOLRSGZPBSM-KUBAVDMBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)
25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25
,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILESC(/C/C=C\C/C=C\C/C=C\C/C=C\CC)=C/C/C=C\CCC(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
433.86Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.14Molar
Refractivity
118.53