Structure Database (LMSD)

Common Name
Behenyl palmitoleate
Systematic Name
docosanyl 9Z-hexadecenoate
Synonyms
  • WE(22:0/16:1(9Z))
  • docosyl 9Z-hexadecenoate
LM ID
LMFA07010026
Status
Active
Exact Mass
Calculate m/z
562.56888
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LKEQUAKZEFUZBG-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-37H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCCC

References

Reference
Comprehensive analysis of the major lipid classes in sebum
by rapid resolution high-performance liquid chromatography
and electrospray mass spectrometry
Emanuela Camera, Matteo Ludovici, Marisa Galante, Jo-Linda Sinagra, and Mauro Picardo
J. Lipid Res. 2010 51:(11) 3377-3388

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

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 678.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.89
Molar Refractivity 179.68

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Updated at
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