Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01070023
Common Name13,14-epoxy-7Z,10Z-Hexadecenoic acid
Systematic Name13,14-epoxy-7Z,10Z-Hexadecenoic acid
Synonyms7Z,10Z-12-(3-ethyloxiranyl)-7,10-Dodecadienoic acid; 13,14-Epoxy-7c,10c-
hexadecadienoic acid; 13(14)-epoxy-7Z,10Z-Hexadecenoic acid
Exact Mass
266.1882 (neutral)    Calculate m/z:
FormulaC16H26O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID131839785
PlantFA ID10548
InChIKeyDEYUZONFWPPQHC-YHOGECKDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H26O3/c1-2-14-15(19-14)12-10-8-6-4-3-5-7-9-11-13-16(17)18/h3-4,8,10,
14-15H,2,5-7,9,11-13H2,1H3,(H,17,18)/b4-3-,10-8-
SMILESC(O)(=O)CCCCC/C=C\C/C=C\CC1C(CC)O1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
291.45Topological Polar
Surface Area
49.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.66Molar
Refractivity
78.21