Structure Database (LMSD)
Common Name
Bolekic acid
Systematic Name
13Z-octadecene-9,11-diynoic acid
Synonyms
- 13-Octadecene-9,11-diynoic acid, (Z)-
3D model of Bolekic 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)
ACHMRCSARDWYGC-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,11-17H2,1H3,(H,19,20)/b6-5-
SMILES (Click to copy)
C(CCCCCCCC#CC#C/C=C\CCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ongokea gore
(#350425)
Magnoliopsida
(#3398)
Fatty acids. Part XII. The acetylenic acids of isano (boleko) oil,
J Chem Soc, 1963
J Chem Soc, 1963
DOI:
10.1039/JR9630005772
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
321.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.55
Molar Refractivity
84.17
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