Structure Database (LMSD)
Common Name
2E,8Z-Undecadiene-4,6-diynoic acid
Systematic Name
2E,8Z-Undecadiene-4,6-diynoic acid
Synonyms
3D model of 2E,8Z-Undecadiene-4,6-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)
SESVVWQTIKATCE-PWGWRZEZSA-N
InChi (Click to copy)
InChI=1S/C11H10O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,9-10H,2H2,1H3,(H,12,13)/b4-3-,10-9+
SMILES (Click to copy)
C(/C=C/C#CC#C/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
197.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.60
Molar Refractivity
51.76
Admin
Created at
-
Updated at
25th Apr 2022