Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01020342
Common Name19:0(11Me)
Systematic Name11-methyl-nonadecanoic acid
Synonyms-
Exact Mass
312.3028 (neutral)    Calculate m/z:
FormulaC20H40O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
PubChem CID52921772
PlantFA ID10794
InChIKeyQHWDSAMTIZLUAO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H40O2/c1-3-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22/h19H
,3-18H2,1-2H3,(H,21,22)
SMILESC(CCCCCCCCCC(C)CCCCCCCC)(=O)O
StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky, Tomas Rezankab and Morris Srebnika
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003, Pages 117-155
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
369.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.97Molar
Refractivity
96.35