Structure Database (LMSD)

O O
Common Name
11-methyl-tridecanyl 16-methyl-heptadecanoate
Systematic Name
11-methyl-tridecanyl 16-methyl-heptadecanoate
Synonyms
  • WE(13:0(11Me)/17:0(16Me))
  • 11-methyl-tridecyl 16-methyl-heptadecanoate
LM ID
LMFA07010081
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)
MVGJKBCJIYUUDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64O2/c1-5-31(4)27-23-19-15-12-13-17-21-25-29-34-32(33)28-24-20-16-11-9-7-6-8-10-14-18-22-26-30(2)3/h30-31H,5-29H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)CC

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
56935917

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 577.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.49
Molar Refractivity 151.93

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Created at
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Updated at
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