Structure Database (LMSD)
Common Name
Type IV cyanolipid 20:1(13Z) ester
Systematic Name
(1-cyano-2-methylprop-2-en-1-yl) 13Z-eicosenoate
Synonyms
- (1-cyano-2-methylprop-2-enyl) eicos-13Z-enoate
- Type IV cyanolipid 20:1 ester (13Z)
No other lipid differing only in stereochemistry/bond geometry found
3D model of Type IV cyanolipid 20:1(13Z) 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)
VBNLYJSHIXFFTD-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C25H43NO2/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/h9-10,24H,2,4-8,11-21H2,1,3H3/b10-9-
SMILES (Click to copy)
C(OC(C#N)C(C)=C)(=O)CCCCCCCCCCC/C=C\CCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
456.44
Topological Polar Surface Area
50.09
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
8.1
Molar Refractivity
119.51
Admin
Created at
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Updated at
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