Structure Database (LMSD)

Common Name
Pentacosanyl palmitoleate
Systematic Name
Pentacosanyl 9Z-hexadecenoate
Synonyms
  • WE(25:0/16:1(9Z))
  • Pentacosyl 9Z-hexadecenoate
LM ID
LMFA07010029
Status
Active
Exact Mass
Calculate m/z
604.61583
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)
WOWHRLSWIUFSKZ-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C41H80O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-43-41(42)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-40H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCCCCCC

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 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 730.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.06
Molar Refractivity 193.53

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Created at
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Updated at
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