Structure database (LMSD)

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LM IDLMFA08040055
Common NameNervonoyl-EA
Systematic NameN-(15Z-tetracosenoyl)-ethanolamine
SynonymsNervonoyl-ethanolamine; cis-selacholeoyl-ethanolamine
Exact Mass
409.3920 (neutral)    Calculate m/z:
FormulaC26H51NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID24762162
SWISSLIPIDS IDSLM:000598182
CAYMAN ID9001746
InChIKeyLISKWSFNVJTQKH-KTKRTIGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-
26(29)27-24-25-28/h9-10,28H,2-8,11-25H2,1H3,(H,27,29)/b10-9-
SMILESC(CCCCCCCCCCC(=O)NCCO)CC/C=C\CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
481.66Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.04Molar
Refractivity
128.23