Structure Database (LMSD)
Common Name
4E,6E,12Z-Tetradecatriene-8,10-diynoic acid
Systematic Name
4E,6E,12Z-Tetradecatriene-8,10-diynoic acid
Synonyms
- 4,6,12-Tetradecatriene-8,10-diynoic acid, (E,E,Z)-
3D model of 4E,6E,12Z-Tetradecatriene-8,10-diynoic 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)
HXXDRCQLLBCTPQ-ULTUQXKFSA-N
InChi (Click to copy)
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-3,8-11H,12-13H2,1H3,(H,15,16)/b3-2-,9-8+,11-10+
SMILES (Click to copy)
C(CC/C=C/C=C/C#CC#C/C=C\C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
247.22
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.55
Molar Refractivity
65.52
Admin
Created at
-
Updated at
25th Apr 2022