Structure Database (LMSD)
Common Name
alpha-eleostearic acid
Systematic Name
9Z,11E,13E-octadecatrienoic acid
Synonyms
- cis-9, trans-11, trans-13-octadecatrienoic acid
- C18:3n-5,7,9
- alpha-eleostearinic acid
- Margarolic acid
- cis-Eleostearic acid
3D model of alpha-eleostearic 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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String Representations
InChiKey (Click to copy)
CUXYLFPMQMFGPL-WPOADVJFSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\C=C\C=C\CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.66
Molar Refractivity
86.90
Admin
Created at
-
Updated at
25th Apr 2022