Structure Database (LMSD)

Common Name
Linolenyl palmitate
Systematic Name
9Z,12Z,15Z-octadecatrienyl hexadecanoate
Synonyms
  • WE(18:3(9Z,12Z,15Z)/16:0)
LM ID
LMFA07010122
Status
Active
Exact Mass
Calculate m/z
502.47498
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)
HNNWULCXHKISMF-SVNQLWEDSA-N
InChi (Click to copy)
InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 603.78
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.89
Molar Refractivity 161.02

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Updated at
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