Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000006
Common NameLysine-containing siolipin
Systematic Name2-((2S)-6-amino-2-(3-hydroxy-14-methylpentadecanamido)hexanoyloxy)ethyl 2-
hydroxy-13-methyltetradecanoate
Synonyms-
Exact Mass
684.5653 (neutral)    Calculate m/z:
FormulaC39H76N2O7
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)42607284
InChIKeyRAKAWZJMWJKWRH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C39H76N2O7/c1-32(2)23-17-13-9-5-7-11-15-19-25-34(42)31-37(44)41-35(26-2
1-22-28-40)38(45)47-29-30-48-39(46)36(43)27-20-16-12-8-6-10-14-18-24-33(3)4/h32-
36,42-43H,5-31,40H2,1-4H3,(H,41,44)
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings0Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
758.87Topological Polar
Surface Area
148.18Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP9.63Molar
Refractivity
198.41    
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