Structure database (LMSD)

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LM IDLMFA08040019
Common NameN-(2-isopropyl-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Systematic NameN-(2-isopropyl-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonyms2-isopropylarachidonoyl-(2'-hydroxyethyl)amide
Exact Mass
389.3294 (neutral)    Calculate m/z:
FormulaC25H43NO2
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 IDXPR7071
PubChem CID5283458
InChIKeyHRUFJXCYLZUGDU-GKFVBPDJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(23(2)3)25(
28)26-21-22-27/h8-9,11-12,14-15,17-18,23-24,27H,4-7,10,13,16,19-22H2,1-3H3,(H,26
,28)/b9-8-,12-11-,15-14-,18-17-
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C(C)C)C(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
456.44Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.69Molar
Refractivity
123.19