Structure Database (LMSD)
Common Name
Type IV cyanolipid 20:2 ester
Systematic Name
(1-cyano-2-methylprop-2-en-1-yl) 11Z,14Z-eicosadienoate
Synonyms
- (1-cyano-2-methylprop-2-enyl) eicos-11Z,14Z-dienoate
No other lipid differing only in stereochemistry/bond geometry found
3D model of Type IV cyanolipid 20:2 ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
AJPBIUFGQARABL-MURFETPASA-N
InChi (Click to copy)
InChI=1S/C25H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)28-24(22-26)23(2)3/h8-9,11-12,24H,2,4-7,10,13-21H2,1,3H3/b9-8-,12-11-
SMILES (Click to copy)
C(OC(C#N)C(C)=C)(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
453.8
Topological Polar Surface Area
50.09
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
7.88
Molar Refractivity
119.41
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Created at
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Updated at
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