Structure Database (LMSD)

O O
Common Name
Palmitoleyl palmitoleate
Systematic Name
9Z-hexadecenyl 9Z-hexadecenoate
Synonyms
  • WE(16:1(9Z)/16:1(9Z))
LM ID
LMFA07010113
Formula
C32H60O2
Exact Mass
Calculate m/z
476.45933
Sum Composition
WE 32:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
PKUDBCXTPWBBHG-VMNXYWKNSA-N
InChi (Click to copy)
InChI=1S/C32H60O2/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/h13-16H,3-12,17-31H2,1-2H3/b15-13-,16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCC/C=C\CCCCCC

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

Other Databases

CHEBI ID
165715
PubChem CID
56935939

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 571.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.33
Molar Refractivity 151.88

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Updated at
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