Structure Database (LMSD)

O O
Common Name
tetradecanyl heptadecanoate
Systematic Name
tetradecanyl heptadecanoate
Synonyms
  • WE(14:0/17:0)
  • tetradecyl heptadecanoate
LM ID
LMFA07010080
Formula
C31H62O2
Exact Mass
Calculate m/z
466.47498
Sum Composition
WE 31:0
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]

String Representations

InChiKey (Click to copy)
UGJKJICALNOSHX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC

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

PubChem CID
56935916

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.39
Molar Refractivity 147.46

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Updated at
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