Structure Database (LMSD)

Common Name
Heneicosanyl palmitoleate
Systematic Name
Heneicosanyl 9Z-hexadecenoate
Synonyms
  • WE(21:0/16:1(9Z))
  • Heneicosyl 9Z-hexadecenoate
LM ID
LMFA07010025
Status
Active
Exact Mass
Calculate m/z
548.55323
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)
PXPRWWKODCVQJY-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C37H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-39-37(38)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-36H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCCCCCCC

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

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 660.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.50
Molar Refractivity 175.06

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Updated at
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