Structure Database (LMSD)
Common Name
(Z)-heptadec-14-en-12-yn-2-one
Systematic Name
Heptadec-14Z-en-12-yn-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (Z)-heptadec-14-en-12-yn-2-one
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)
OXKMRJUGQAGNFL-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C17H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h4-5H,3,8-16H2,1-2H3/b5-4-
SMILES (Click to copy)
C(#CCCCCCCCCCC(C)=O)/C=C\CC
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
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
300.89
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.06
Molar Refractivity
79.44
Admin
Created at
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Updated at
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