Structure Database (LMSD)

Common Name
Tridecyl palmitoleate
Systematic Name
Tridecyl 9Z-hexadecenoate
Synonyms
  • WE(13:0/16:1(9Z))
LM ID
LMFA07010017
Formula
C29H56O2
Exact Mass
Calculate m/z
436.42803
Sum Composition
WE 29:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Comprehensive analysis of the major lipid classes in sebum by rapid resolution high-performance liquid chromatography and electrospray mass spectrometry.,
J Lipid Res, 2010
Pubmed ID: 20719760
Homo sapiens (#9606)
Mammalia (#40674)
Comprehensive analysis of the major lipid classes in sebum by rapid resolution high-performance liquid chromatography and electrospray mass spectrometry.,
J Lipid Res, 2010
Pubmed ID: 20719760

String Representations

InChiKey (Click to copy)
OVEVWLJVQMXLKU-SQFISAMPSA-N
InChi (Click to copy)
InChI=1S/C29H56O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29(30)31-28-26-24-22-20-18-14-12-10-8-6-4-2/h13,15H,3-12,14,16-28H2,1-2H3/b15-13-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCC

Other Databases

PubChem CID
52922007

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 522.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.38
Molar Refractivity 138.13

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Updated at
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