Structure Database (LMSD)

O O
Common Name
Myristoleyl stearate
Systematic Name
9Z-tetradecenyl octadecanoate
Synonyms
  • WE(14:1(9Z)/18:0)
LM ID
LMFA07010114
Formula
C32H62O2
Exact Mass
Calculate m/z
478.47498
Sum Composition
WE 32:1
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)
RPKOMLKWGJALOO-BENRWUELSA-N
InChi (Click to copy)
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-31H2,1-2H3/b12-10-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCC

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
165691
PubChem CID
56935940

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 574.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.55
Molar Refractivity 151.98

Admin

Created at
-
Updated at
-