Structure Database (LMSD)
Common Name
Nonacosanol
Systematic Name
Nonacosan-1-ol
Synonyms
3D model of Nonacosanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
PKBSGDQYUYBUDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30/h30H,2-29H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
27
Van der Waals Molecular Volume
519.05
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
10.82
Molar Refractivity
137.91
Admin
Created at
-
Updated at
25th Apr 2022