Structure Database (LMSD)
Common Name
Cetelaidic acid
Systematic Name
11E-docosenoic acid
Synonyms
- C22:1n-11
- Catelaidic acid
3D model of Cetelaidic 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
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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String Representations
InChiKey (Click to copy)
KJDZDTDNIULJBE-VAWYXSNFSA-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(CCCCCCCCC/C=C/CCCCCCCCCC)(=O)O
Other Databases
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
25th Apr 2022