Structure Database (LMSD)
Common Name
cis-cetoleic acid
Systematic Name
11Z-docosenoic acid
Synonyms
- cis-11-docosenoic acid
- C22:1n-11
3D model of cis-cetoleic 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
11(Z)-Docosenoic acid is a 22-carbon monounsaturated fatty acid that has been found in fish oil.1
This information has been provided by Cayman Chemical
References
1. Shimizu, K., and Ando, Y. Gas chromatographic separation of docosenoic acid positional isomers on an SLB-IL100 ionic liquid column. J. Oleo Sci. 61(8), 421-426 (2012).
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).
References
String Representations
InChiKey (Click to copy)
KJDZDTDNIULJBE-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
SMILES (Click to copy)
C(/C=C\CCCCCCCCCC(=O)O)CCCCCCCCC
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0127
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.67
Molar Refractivity
105.56
Admin
Created at
-
Updated at
7th Nov 2023