Structure Database (LMSD)
Common Name
5Z,13Z-docosadienoic acid
Systematic Name
5Z,13Z-docosadienoic acid
Synonyms
- C22:2n-9,17
3D model of 5Z,13Z-docosadienoic acid
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)
HVHVBKMJDJLCEQ-XINWAFBYSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,17-18H,2-8,11-16,19-21H2,1H3,(H,23,24)/b10-9-,18-17-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC/C=C\CCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Limnanthes douglasii
(#28973)
Magnoliopsida
(#3398)
A Unique Fatty Acid from Limnanthes douglasii Seed Oil: The C22 Diene,
J Org Chem, 1961
J Org Chem, 1961
DOI:
10.1021/jo01063a067
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
398.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.44
Molar Refractivity
105.46
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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Admin
Created at
-
Updated at
25th Apr 2022