Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07010002
Common NameMyristyl palmitate
Systematic Nametetradecanyl hexadecanoate
SynonymsWE(14:0/16:0); tetradecyl hexadecanoate
Exact Mass
452.4593 (neutral)    Calculate m/z:
FormulaC30H60O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID78294
SWISSLIPIDS IDSLM:000389999
InChIKeyUULYVBBLIYLRCU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-
21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
StatusActive
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesNetherlands Institute for Sea Research (NIOZ) MBT database
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
542.50Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.00Molar
Refractivity
142.84