Structure Database (LMSD)
Common Name
5,13-docosadienoic acid
Systematic Name
5,13-docosadienoic acid
Synonyms
- C22:2n-9,17
3D model of 5,13-docosadienoic 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)
HVHVBKMJDJLCEQ-RKHHRFTBSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,17-18H,2-8,11-16,19-21H2,1H3,(H,23,24)/b10-9+,18-17+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCC/C=C/CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
398.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.44
Molar Refractivity
105.46
Admin
Created at
-
Updated at
25th Apr 2022