Structure Database (LMSD)
Systematic Name
Octadec-2E-en-4-ynedioic acid
Synonyms
3D model of
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
Filter by species:
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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.
Click on an edge to display the reaction(s).

References
String Representations
InChiKey (Click to copy)
GTMFGWXGRXIATH-WUKNDPDISA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-13H2,1H3,(H,19,20)/b17-16+
SMILES (Click to copy)
C(/C=C/C#CCCCCCCCCCCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.33
Molar Refractivity
85.63
Admin
Created at
21st Jul 2021
Updated at
25th Apr 2022