Structure Database (LMSD)

Common Name
Heptadecyl-palmitate
Systematic Name
heptadecyl hexadecanoate
Synonyms
  • WE(17:0/16:0)
LM ID
LMFA07010003
Formula
C33H66O2
Exact Mass
Calculate m/z
494.50628
Sum Composition
WE 33:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

String Representations

InChiKey (Click to copy)
JSCXULKPIQSBSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
52922005

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.17
Molar Refractivity 156.69

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Updated at
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