Structure Database (LMSD)
Common Name
Cilienic acid
Systematic Name
6Z,11Z-octadecadienoic acid
Synonyms
- C18:2n-7,12
- (6Z,11Z)-octadeca-6,11-dienoic acid
3D model of Cilienic 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)
RTJZUCGIUVBZCN-QOTUMQCOSA-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/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7-,13-12-
SMILES (Click to copy)
C(CCCC/C=C\CCC/C=C\CCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Tetrahymena pyriformis
(#5908)
Oligohymenophorea
(#6020)
The effect of temperature on unsaturated fatty acid loss in Tetrahymena pyriformis.,
Biochim Biophys Acta, 1979
Biochim Biophys Acta, 1979
Pubmed ID:
117840
Euryspongia
(#1163034)
Demospongiae
(#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Chem Phys Lipids, 2003
Pubmed ID:
12691847
Other Databases
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