Structure Database (LMSD)
Common Name
cis-Gadoleic acid
Systematic Name
9Z-eicosenoic acid
Synonyms
- cis-9-eicosenoic acid
- cis-9-icosenoic acid
- C20:1n-11
- Gadoleic acid
- Gondoleic acid
- 9Z-eicosenic acid
3D model of cis-Gadoleic 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)
LQJBNNIYVWPHFW-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\CCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
366.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.89
Molar Refractivity
96.32
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
9th Jun 2022