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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0105010012
Common NameC25:1 Highly branched isoprenoid
Systematic Name2,6,10,14-tetramethyl-7-(3-methyl-pent-4-enyl)-pentadecane
Synonyms-
Exact Mass
350.3913 (neutral)    Calculate m/z:
FormulaC25H50
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID42608273
InChIKeyBZFIQKGXWZTFQC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H50/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,20-25H,1,10-19H2,2-8H3
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SMILES
CC(CCCC(C)C(CCC(C)C=C)CCC(CCCC(C)C)C)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
438.42Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.91Molar
Refractivity
117.03