Structure Database (LMSD)
Common Name
(Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic acid
Systematic Name
16-oxo-octadeca-9Z,17-dien-12,14-diynoic acid
Synonyms
3D model of (Z)-16-oxo-octadeca-9,17-dien-12,14-diynoic 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
References
Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
String Representations
InChiKey (Click to copy)
RDXYIPKEXLIJQI-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C18H22O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h2-3,5H,1,4,6-8,10,12,14,16H2,(H,20,21)/b5-3-
SMILES (Click to copy)
C(/C=C\CCCCCCCC(=O)O)C#CC#CC(=O)C=C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
325.21
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.51
Molar Refractivity
84.47
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Updated at
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