Structure Database (LMSD)
Common Name
2E,6E,8E,10E-dodecatetraenoic acid
Systematic Name
2E,6E,8E,10E-dodecatetraenoic acid
Synonyms
- C12:4n-2,4,6,10
3D model of 2E,6E,8E,10E-dodecatetraenoic 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)
ASTBWPMXGJCVAM-IFZPDKMOSA-N
InChi (Click to copy)
InChI=1S/C12H16O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7,10-11H,8-9H2,1H3,(H,13,14)/b3-2+,5-4+,7-6+,11-10+
SMILES (Click to copy)
C(/C=C/CC/C=C/C=C/C=C/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
220.54
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.10
Molar Refractivity
59.10
Admin
Created at
-
Updated at
25th Apr 2022