Structure Database (LMSD)

Common Name
Lauryl linoleate
Systematic Name
dodecanyl 9Z,12Z-octadecadienoate
Synonyms
  • WE(12:0/18:2(9Z,12Z))
  • dodecyl 9Z,12Z-octadecadienoate
LM ID
LMFA07010095
Formula
C30H56O2
Exact Mass
Calculate m/z
448.42803
Sum Composition
WE 30:2
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)
YEVRRNZSZWIYCX-BIXSNLIQSA-N
InChi (Click to copy)
InChI=1S/C30H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17H,3-10,12,14-15,18-29H2,1-2H3/b13-11-,17-16-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCCCCCCCCCCCC

Other Databases

CHEBI ID
165652
PubChem CID
6451935

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 537.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.55
Molar Refractivity 142.65

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Updated at
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