Structure database (LMSD)

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LM IDLMFA08040007
Common NameAnandamide (18:3, n-3)
Systematic NameN-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
SynonymsN-cis-9,12,15-Octadecatrienoylethanolamine
Exact Mass
321.2668 (neutral)    Calculate m/z:
FormulaC20H35NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7007
PubChem CID5283449
HMDB IDHMDB0013624
SWISSLIPIDS IDSLM:000598137
CAYMAN ID90215
InChIKeyHBJXRRXWHSHZPU-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/
h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-
SMILESC(C/C=C\C/C=C\C/C=C\CC)CCCCCC(=O)NCCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
372.58Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.25Molar
Refractivity
100.34