Structure database (LMSD)

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LM IDLMFA08040016
Common Nameα-methyl anandamide
Systematic NameN-(2-methy-5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
Synonymsα-methyl anandamide
Exact Mass
361.2981 (neutral)    Calculate m/z:
FormulaC23H39NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105]
LIPIDBANK IDXPR7045
PubChem CID5283455
InChIKeyPOPPPMLPRVFFPI-ZKWNWVNESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-
20-21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-
,11-10-,14-13-,17-16-
SMILESC(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)C(=O)NCCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
421.84Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.06Molar
Refractivity
114.03