Structure Database (LMSD)
Common Name
hexadecyl pentacosanoate
Systematic Name
hexadecyl pentacosanoate
Synonyms
- WE(16:0/25:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of hexadecyl pentacosanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
RKQZBMBKAGLDEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C41H82O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41(42)43-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
732.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
15.29
Molar Refractivity
193.63
Admin
Created at
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Updated at
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