Structure Database (LMSD)
Common Name
9Z,12Z-Octadecadien-6-ynoic acid
Systematic Name
9Z,12Z-Octadecadien-6-ynoic acid
Synonyms
- Acetylenic acids
3D model of 9Z,12Z-Octadecadien-6-ynoic 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)
UECZBRRJYAZMDX-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCC#CC/C=C\C/C=C\CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
324.34
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.11
Molar Refractivity
85.54
Admin
Created at
-
Updated at
25th Apr 2022