Structure database (LMSD)

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LM IDLMFA07010044
Common NameArachidyl myristate
Systematic Nameeicosanyl tetradecanoate
SynonymsWE(20:0/14:0); eicosyl tetradecanoate
Exact Mass
508.5219 (neutral)    Calculate m/z:
FormulaC34H68O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
AbbrevWE 34:0
PubChem CID89701
InChIKeySIRGJSXHZWCMOB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-14-12-10-8-6-4-2/h3-33H2,1-2H3
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SMILES
O=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC
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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 Atoms36Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
611.70Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.56Molar
Refractivity
161.31