Structure Database (LMSD)

Common Name
Linolenyl linolenate
Systematic Name
9Z,12Z,15Z-octadecatrienyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
LM ID
LMFA07010141
Formula
C36H60O2
Exact Mass
Calculate m/z
524.45933
Sum Composition
WE 36:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

String Representations

InChiKey (Click to copy)
LZUIYJJRANHRNH-YTWBPVBXSA-N
InChi (Click to copy)
InChI=1S/C36H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20H,3-4,9-10,15-16,21-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
165660
PubChem CID
56935954

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 630.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.99
Molar Refractivity 169.98

Admin

Created at
-
Updated at
-