Structure database (LMSD)

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LM IDLMFA08020072
Common NameN-arachidonoyl dihydroxypropylamine
Systematic NameN-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-(1,3-dihydroxy-propyl-2-amine)
SynonymsAA dihydroxypropylamine
Exact Mass
377.2930 (neutral)    Calculate m/z:
FormulaC23H39NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl amines [FA0802]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevNA 23:4;O2
PubChem CID10595770
HMDB IDHMDB0013650
CAYMAN ID62170
InChIKeyQHELXIATGZYOIB-DOFZRALJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-
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SMILES
C(NC(CO)CO)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
430.63Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP5.46Molar
Refractivity
116.00