Structure Database (LMSD)
Common Name
hexatetracontanoic acid
Systematic Name
hexatetracontanoic acid
Synonyms
- C46:0
3D model of hexatetracontanoic 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)
PLPABYLKGGTKBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H2,1H3,(H,47,48)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
0
Aromatic Rings
0
Rotatable Bonds
44
Van der Waals Molecular Volume
819.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
17.26
Molar Refractivity
216.46
Reactions
Filter by species:
ⓘ
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).
Admin
Created at
-
Updated at
25th Apr 2022