Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA00000005
Common Name-
Systematic NameN-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Synonyms-
Exact Mass
625.5281 (neutral)    Calculate m/z:
FormulaC37H71NO6
CategoryFatty Acyls [FA]
Main ClassOther Fatty Acyls [FA00]
Sub Class-
PubChem Compound ID (CID)42607283
InChIKeyWTGXHHUORCSXNB-DNKZHYAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(
40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2
,1-4H3,(H,38,40)(H,42,43)/t33?,34-/m0/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
704.48Topological Polar
Surface Area
112.93Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP10.38Molar
Refractivity
183.15    
logo LIPID MAPS is funded by a Wellcome Trust.