Structure Database (LMSD)

Common Name
Behenyl laurate
Systematic Name
docosanyl dodecanoate
Synonyms
  • WE(22:0/12:0)
  • docosyl dodecanoate
LM ID
LMFA07010045
Formula
C34H68O2
Exact Mass
Calculate m/z
508.52193
Sum Composition
WE 34:0
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

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)
RDLSPOZZADEUJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-36-34(35)32-30-28-26-24-12-10-8-6-4-2/h3-33H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
5167688

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 611.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.56
Molar Refractivity 161.31

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Updated at
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