Structure Database (LMSD)

Common Name
Oleyl laurate
Systematic Name
9Z-octadecenyl dodecanoate
Synonyms
  • WE(18:1(9Z)/12:0)
LM ID
LMFA07010101
Formula
C30H58O2
Exact Mass
Calculate m/z
450.44368
Sum Composition
WE 30:1
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)
UGHVFDVVZRNMHY-NXVVXOECSA-N
InChi (Click to copy)
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3/b16-15-
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC

Other Databases

CHEBI ID
165698
PubChem CID
6436499

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 539.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.77
Molar Refractivity 142.74

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Updated at
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