Structure Database (LMSD)
Common Name
Colneleic acid
Systematic Name
9-[1'E,3'Z-dien-1'-yloxy]-non-8E-enoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Colneleic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
Solanum tuberosum
(#4113)
Magnoliopsida
(#3398)
The enzymic conversion of linoleic acid into 9-(nona-1',3'-dienoxy)non-8-enoic acid, a novel unsaturated ether derivative isolated from homogenates of Solanum tuberosum tubers.,
Biochem J, 1972
Biochem J, 1972
Pubmed ID:
4658996
DOI:
10.1042/bj1290743
String Representations
InChiKey (Click to copy)
HHZKKFXQEIBVEV-CXXUKANQSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+
SMILES (Click to copy)
OC(=O)CCCCCC/C=C/O/C=C/C=C\CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
335.77
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.59
Molar Refractivity
87.98
Admin
Created at
-
Updated at
4th Feb 2021