Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030115
Common Name-
Systematic Name8E,10E-octadecadienoic acid
Synonymstrans-8, trans-10-octadecadienoic acid; C18:2n-8,10
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0154
PubChem Compound ID (CID)5282793
InChIKeyQJKCKUNKNNYJNS-BNFZFUHLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-7
,12-17H2,1H3,(H,19,20)/b9-8+,11-10+
SMILESCCCCCCC/C=C/C=C/CCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
329.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.88Molar
Refractivity
86.99    
logo LIPID MAPS is funded by a Wellcome Trust.