Structure Database (LMSD)

O O
Common Name
16-methyl-heptadecanyl tetradecanoate
Systematic Name
16-methyl-heptadecanyl tetradecanoate
Synonyms
  • WE(17:0(16Me)/14:0)
  • 16-methyl-heptadecyl tetradecanoate
LM ID
LMFA07010084
Formula
C32H64O2
Exact Mass
Calculate m/z
480.49063
Sum Composition
WE 32:0
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
VRBHTEGUHVNKEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64O2/c1-4-5-6-7-8-9-13-17-20-23-26-29-32(33)34-30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-31(2)3/h31H,4-30H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC(C)C

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
21954220

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 577.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.63
Molar Refractivity 152.00

Admin

Created at
-
Updated at
-