Structure database (LMSD)

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LM IDLMFA08040037
Common NameMead Acid-EA
Systematic NameN-(5Z,8Z,11Z-eicosatrienoyl)-ethanolamine
Synonyms-
Exact Mass
349.2981 (neutral)    Calculate m/z:
FormulaC22H39NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID16061185
CAYMAN ID90195
InChIKeyYKGQBEGMUSSPFY-YOILPLPUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H39NO2/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/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25)/b10-9-,13-12-,16-15-
SMILESC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(=O)NCCO
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
407.18Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.03Molar
Refractivity
109.57