Structure database (LMSD)

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LM IDLMFA07010036
Common NamePalmityl laurate
Systematic Namehexadecanyl dodecanoate
SynonymsWE(16:0/12:0); hexadecyl dodecanoate
Exact Mass
424.4280 (neutral)    Calculate m/z:
FormulaC28H56O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID88709
SWISSLIPIDS IDSLM:000390001
InChIKeyVWOKINHIVGKNRX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-
20-18-12-10-8-6-4-2/h3-27H2,1-2H3
SMILESO=C(CCCCCCCCCCC)OCCCCCCCCCCCCCCCC
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 Atoms30Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
507.90Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP10.22Molar
Refractivity
133.61