Structure database (LMSD)

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LM IDLMFA07010162
Common NameArachidyl linoleate
Systematic Nameeicosanyl 9Z,12Z-octadecadienoate
SynonymsWE(20:0/18:2(9Z,12Z)); eicosyl 9Z,12Z-octadecadienoate
Exact Mass
560.5532 (neutral)    Calculate m/z:
FormulaC38H72O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem Compound ID (CID)70698746
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyFQZCMDHWPNQVQZ-GVKPZOCESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(
39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22H,3-11,13,15-17,19
-21,23-37H2,1-2H3/b14-12-,22-18-
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC
StatusActive
ReferencesStructural characterization of wax esters by electron ionization mass spectrometry
Klara Urbanova, Vladimir Vrkoslav, Irena Valterova, Martina Hakova, and Josef Cvacka
J. Lipid Res. 53:(1) 204-213 (2012)
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
675.62Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP13.67Molar
Refractivity
179.59    
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