Structure database (LMSD)

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LM IDLMFA08040052
Common NameBehenoyl-EA
Systematic NameN-(Docosanoyl)-ethanolamine
SynonymsBehenoyl-ethanolamine
Exact Mass
383.3763 (neutral)    Calculate m/z:
FormulaC24H49NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevNAE 22:0
PubChem CID3023585
CHEBI ID146186
SWISSLIPIDS IDSLM:000598132
CAYMAN ID10005823
InChIKeyXHFWUECSNJWBJU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C24H49NO2/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/h26H,2-23H2,1H3,(H,25,27)
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SMILES
C(CCCCCCCCCCCCC(=O)NCCO)CCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
449.70Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.49Molar
Refractivity
119.09