Structure Database (LMSD)

Common Name
Palmityl palmitoleate
Systematic Name
hexadecanyl 9Z-hexadecenoate
Synonyms
  • WE(16:0/16:1(9Z))
  • hexadecyl 9Z-hexadecenoate
LM ID
LMFA07010020
Status
Active
Exact Mass
Calculate m/z
478.47498
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)
YEHRXIRYXGNEDS-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-31H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCC

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

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 574.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.55
Molar Refractivity 151.98

Admin

Created at
-
Updated at
-