Structure database (LMSD)

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LM IDLMFA08040038
Common NameEicosanoyl-EA
Systematic NameN-eicosanoyl-ethanolamine
SynonymsN-eicosanoylethanolamine
Exact Mass
355.3450 (neutral)    Calculate m/z:
FormulaC22H45NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID3787294
SWISSLIPIDS IDSLM:000390116
CAYMAN ID10005765
InChIKeyAUJVQJHODMISJP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H45NO2/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/h24H,2-21H2,1H3,(H,23,25)
SMILESC(CCCCCCCCCCC)CCCCCCCC(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
415.10Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.71Molar
Refractivity
109.86