Structure Database (LMSD)
Common Name
3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid
Systematic Name
3Z,6Z,9Z,12Z,15Z-octadecapentaenoic acid
Synonyms
- C18:5n-3,6,9,12,15
3D model of 3Z,6Z,9Z,12Z,15Z-octadecapentaenoic 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
Biological Context
3(Z),6(Z),9(Z),12(Z),15(Z)-Octadecapentaenoic acid is a microalgal PUFA that has been found in G. kowalevskii.1 It has been used as a chemotaxonomic biomarker for microalgae and dinoflagellates.
This information has been provided by Cayman Chemical
References
1. Svetashev, V.I., and Imbs, A.B. Isomerization of octadecapentaenoic acid (18:5n-3) in algal lipid samples under derivatization for GC and GC-MS analysis. J. Phycol. 50(2), 322-327 (2014).
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
String Representations
InChiKey (Click to copy)
LYJOUWBWJDKKEF-JLNKQSITSA-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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
321.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.21
Molar Refractivity
86.71
Admin
Created at
-
Updated at
25th Apr 2022