Structure Database (LMSD)
Common Name
Keteleeronic acid
Systematic Name
5Z,11Z-eicosadienoic acid
Synonyms
- C20:2n-9,15
3D model of Keteleeronic 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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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Abyssogena phaseoliformis
(#1871145)
Bivalvia
(#6544)
Identification of novel n-4 series polyunsaturated fatty acids in a deep-sea clam, Calyptogena phaseoliformis.,
J Chromatogr A, 2007
J Chromatogr A, 2007
Pubmed ID:
17604037
String Representations
InChiKey (Click to copy)
RCYNQXHBZULXMM-GJWNNSPJSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
364.22
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.66
Molar Refractivity
96.23
Admin
Created at
-
Updated at
25th Apr 2022