Structure Database (LMSD)
Common Name
Criegeenic acid
Systematic Name
12Z-hexadecenoic acid
Synonyms
- C16:1 n-4
3D model of Criegeenic 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.
Click on an edge to display the reaction(s).
References
String Representations
InChiKey (Click to copy)
MAJQLUHZSRVCAT-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5H,2-3,6-15H2,1H3,(H,17,18)/b5-4-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\CCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
297.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.33
Molar Refractivity
77.85
Admin
Created at
11th Jul 2023
Updated at
20th Jul 2023