Structure Database (LMSD)
Common Name
(Z)-hexadec-13-en-11-ynoic acid
Systematic Name
Hexadec-13Z-en-11-ynoic acid
Synonyms
3D model of (Z)-hexadec-13-en-11-ynoic 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
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)
ZXOJISPJUDADNS-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,7-15H2,1H3,(H,17,18)/b4-3-
SMILES (Click to copy)
C(#CCCCCCCCCCC(O)=O)/C=C\CC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
292.38
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.55
Molar Refractivity
76.40
Admin
Created at
-
Updated at
25th Apr 2022