Structure database (LMSD)

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LM IDLMFA08040050
Common NameErucicoyl-EA
Systematic NameN-(13Z-docosanoyl)-ethanolamine
SynonymsErucicoyl-ethanolamine
Exact Mass
381.3607 (neutral)    Calculate m/z:
FormulaC24H47NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID6436482
SWISSLIPIDS IDSLM:000598181
CAYMAN ID9001745
InChIKeyUGYSMGXRWBTMRZ-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H47NO2/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/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
SMILESC(=C/CCCCCCCCCCCC(=O)NCCO)/CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
447.06Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.26Molar
Refractivity
119.00