Structure Database (LMSD)
Common Name
cis,cis-dodeca-3,6-dienoic acid
Systematic Name
3Z,6Z-dodecadienoic acid
Synonyms
- C12:2n-6,9
3D model of cis,cis-dodeca-3,6-dienoic 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)
QHRHXXRXWDTFLI-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,9-10H,2-5,8,11H2,1H3,(H,13,14)/b7-6-,10-9-
SMILES (Click to copy)
O=C(O)C/C=C\C/C=C\CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.54
Molar Refractivity
59.29
Admin
Created at
-
Updated at
25th Apr 2022