Structure Database (LMSD)

O O
Common Name
tetradecanyl 15-methyl-hexadecanoate
Systematic Name
tetradecanyl 15-methyl-hexadecanoate
Synonyms
  • WE(14:0/16:0(15Me))
  • tetradecyl 15-methyl-hexadecanoate
LM ID
LMFA07010079
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
UTTIQGCPKCFJGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-14-17-20-23-26-29-33-31(32)28-25-22-19-16-13-11-12-15-18-21-24-27-30(2)3/h30H,4-29H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCC(C)C)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
56935915

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.24
Molar Refractivity 147.39

Admin

Created at
-
Updated at
-