Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000008
Common Name9Z,15Z,22Z-hentriacontatriene
Systematic Name9Z,15Z,22Z-hentriacontatriene
Synonyms-
Exact Mass
430.4539 (neutral)    Calculate m/z:
FormulaC31H58
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID24778499
InChIKeyAEEPVVXYYGSXMM-XRPSBXSJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18
-16-14-12-10-8-6-4-2/h17-20,29,31H,3-16,21-28,30H2,1-2H3/b19-17-,20-18-,31-29-
SMILESCCCCCCCC/C=C\CCCC/C=C\CCCCC/C=C\CCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
536.94Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.67Molar
Refractivity
144.96