Structure database (LMSD)

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LM IDLMFA08020037
Common Name(+)N-(2S-hydroxy-propyl) α,α-dimethylarachidonoyl amine
Systematic NameN-(2S-hydroxy-propyl)-2,2-dimethyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
SynonymsN-(2S-hydroxy-propyl)α,α-dimethylarachidonoylamide
Exact Mass
389.3294 (neutral)    Calculate m/z:
FormulaC25H43NO2
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105]
AbbrevNA 25:4;O
LIPIDBANK IDXPR7051
PubChem CID5283420
InChIKeyISQLXYIUDZLLLP-HRJYBQMVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H43NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3,4)24(28)26-22-23(2)27/h9-10,12-13,15-16,18-19,23,27H,5-8,11,14,17,20-22H2,1-4H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-/t23-/m0/s1
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SMILES
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCC(C)(C)C(=O)NC[C@@H](O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
456.44Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.84Molar
Refractivity
123.26