Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030361
Common Name10E-nonadecenoic acid
Systematic Name10E-nonadecenoic acid
SynonymsC19:1n-9
Exact Mass
296.2715 (neutral)    Calculate m/z:
FormulaC19H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID7576
PubChem CID5312512
InChIKeyBBOWBNGUEWHNQZ-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,
2-8,11-18H2,1H3,(H,20,21)/b10-9+
SMILESC(CCCCCCCC/C=C/CCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
349.56Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.50Molar
Refractivity
91.70