Structure Database (LMSD)
Common Name
12Z,15Z-heneicosadienoic acid
Systematic Name
12Z,15Z-heneicosadienoic acid
Synonyms
- C21:2n-6,9
3D model of 12Z,15Z-heneicosadienoic 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
12(Z),15(Z)-Heneicosadienoic acid is an ω-6 very long-chain polyunsaturated fatty acid. It is a positional isomer of heneicosadienoic acid that is rare in living organisms.1
This information has been provided by Cayman Chemical
References
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)
TZOLQRQTGDCGPQ-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,22,23)/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\C/C=C\CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
381.52
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.05
Molar Refractivity
100.84
Admin
Created at
-
Updated at
20th Feb 2025