Structure Database (LMSD)
Common Name
octadecyl heptadecanoate
Systematic Name
octadecyl heptadecanoate
Synonyms
- WE(18:0/17:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of octadecyl heptadecanoate
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)
CEQDKMZQTXZMPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H70O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-37-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O
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
37
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
629.00
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
12.95
Molar Refractivity
165.92
Admin
Created at
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Updated at
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