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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08020036
Common NameN-isopropyl α,α-dimethylarachidonoyl amine
Systematic NameN-isopropyl-2,2-dimethyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
SynonymsN-isopropyl-α,α-dimethylarachidonoylamide
Exact Mass
373.3345 (neutral)    Calculate m/z:
FormulaC25H43NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
AbbrevNA 25:4
LIPIDBANK IDXPR7050
PubChem CID5283419
InChIKeyAPMHRGDNLGREMG-AILJCPQKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H43NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(4,5)24(27)26-23(2)3/h10-11,13-14,16-17,19-20,23H,6-9,12,15,18,21-22H2,1-5H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
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SMILES
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)(C)C(=O)NC(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
447.65Topological Polar
Surface Area
29.10Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.58Molar
Refractivity
121.36