Structure database (LMSD)

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LM IDLMFA08040047
Common NameAdrenoyl-EA
Systematic NameN-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamine
SynonymsAdrenoyl-ethanolamine
Exact Mass
375.3137 (neutral)    Calculate m/z:
FormulaC24H41NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID5282273
HMDB IDHMDB0013626
SWISSLIPIDS IDSLM:000598163
CAYMAN ID90385
InChIKeyFMVHVRYFQIXOAF-DOFZRALJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H41NO2/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/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10
-9-,13-12-,16-15-
SMILESC(CC(=O)NCCO)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
439.14Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.59Molar
Refractivity
118.71