Structure Database (LMSD)

Common Name
Palmitoleyl palmitate
Systematic Name
9Z-hexadecenyl hexadecanoate
Synonyms
  • WE(16:1(9Z)/16:0)
LM ID
LMFA07010117
Formula
C32H62O2
Exact Mass
Calculate m/z
478.47498
Sum Composition
WE 32:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

String Representations

InChiKey (Click to copy)
GUFSIRYLADOCMW-SQFISAMPSA-N
InChi (Click to copy)
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-31H2,1-2H3/b15-13-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCCCC

Other Databases

CHEBI ID
165714
PubChem CID
5367703

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 574.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.55
Molar Refractivity 151.98

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Updated at
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