Structure Database (LMSD)
Common Name
9Z,12E-octadecadienoic acid
Systematic Name
9Z,12E-octadecadienoic acid
Synonyms
- cis-9, trans-12-octadecadienoic acid
- C18:2n-6,9
3D model of 9Z,12E-octadecadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OYHQOLUKZRVURQ-KQHSAVHASA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\C/C=C/CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
329.62
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.88
Molar Refractivity
86.99
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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Admin
Created at
-
Updated at
25th Apr 2022