Structure Database (LMSD)
Common Name
cis-parinaric acid
Systematic Name
9Z,11E,13E,15Z-octadecatetraenoic acid
Synonyms
- alpha-parinaric acid
- C18:4n-3,5,7,9
3D model of cis-parinaric 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)
IJTNSXPMYKJZPR-ZSCYQOFPSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C\C=C\C=C/CC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Parinari
(#82156)
Magnoliopsida
(#3398)
New tropical seed oils. Part I. conjugated trienoic and tetraenoic acids and their oxo derivatives in the seed oils of Chrysobalanus Icaco and Parinarium Laurinum,
Chem Phys Lipids, 1967
Chem Phys Lipids, 1967
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
324.34
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.44
Molar Refractivity
86.81
Reactions
Filter by species:
ⓘ
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).
Admin
Created at
-
Updated at
25th Apr 2022