Structure Database (LMSD)

O O
Common Name
12-methyl-tridecanyl 16-methyl-heptadecanoate
Systematic Name
12-methyl-tridecanyl 16-methyl-heptadecanoate
Synonyms
  • WE(13:0(12Me)/17:0(16Me))
  • 12-methyl-tridecyl 16-methyl-heptadecanoate
LM ID
LMFA07010082
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)
UCDQXYVIKLHVRM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H64O2/c1-30(2)26-22-18-14-10-7-5-6-8-12-16-20-24-28-32(33)34-29-25-21-17-13-9-11-15-19-23-27-31(3)4/h30-31H,5-29H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC(C)C)OCCCCCCCCCCCC(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
54345680

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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