Structure Database (LMSD)
Common Name
12E,16E-octadecadienoic acid
Systematic Name
12E,16E-octadecadienoic acid
Synonyms
- C18:2n-2,6
3D model of 12E,16E-octadecadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
ZKLAMZVXHZVASN-BLWKUPHCSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,6-7H,4-5,8-17H2,1H3,(H,19,20)/b3-2+,7-6+
SMILES (Click to copy)
C(CCCCCCCCCC/C=C/CC/C=C/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
329.62
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.88
Molar Refractivity
86.99
Admin
Created at
-
Updated at
25th Apr 2022