Structure Database (LMSD)
Common Name
Squalene
Systematic Name
Squalene
Synonyms
3D model of Squalene
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
Level 4 Class
String Representations
InChiKey (Click to copy)
YYGNTYWPHWGJRM-AAJYLUCBSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C(C)(CCC=C(C)C)=CCC/C(/C)=C/CCC=C(C)CCC=C(C)CCC=C(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
511.72
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
10.60
Molar Refractivity
140.06
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).
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Created at
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Updated at
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