Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA02000153
Common NameDensipolic acid
Systematic Name12-hydroxy-9Z,15Z-octadecadienoic acid
Synonyms12-hydroxy-cis-9,cis-15-octadecadienoic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 18:2;O
PubChem CID5282946
PlantFA ID10390
InChIKeyOKIDIWHWTIMACU-UYOLCUGSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-
Click to highlight InChI
SMILES
C(CCCCCCC(=O)O)/C=C\CC(O)CC/C=C\CC
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		338.41Topological Polar
Surface Area		57.53Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		3
 logP5.14Molar
Refractivity		88.90