Structure Database (LMSD)
Common Name
12E-hexadecenoic acid
Systematic Name
12E-hexadecenoic acid
Synonyms
- C16:1 n-4E
3D model of 12E-hexadecenoic 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)
MAJQLUHZSRVCAT-SNAWJCMRSA-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
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
Aromatic Rings
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
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
11th Jul 2023
Updated at
20th Jul 2023