Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000008
Common Namenonacosan-10-one
Systematic Namenonacosan-10-one
SynonymsGinnone; Nonacosan-10-one
Exact Mass
422.4488 (neutral)    Calculate m/z:
FormulaC29H58O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID441490
KEGG IDC08386
HMDB IDHMDB0033719
CHEBI ID7612
InChIKeyZPVRGRJHOPAZOE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-2
5-23-21-10-8-6-4-2/h3-28H2,1-2H3
SMILESC(=O)(CCCCCCCCC)CCCCCCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
516.41Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP10.74Molar
Refractivity
136.40