Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080008
Common Name2-methoxy-6Z-hexadecenoic acid
Systematic Name2-methoxy-6Z-hexadecenoic acid
Synonyms(6Z)-2-Methoxyhexadecenoic acid
Exact Mass
284.2351 (neutral)    Calculate m/z:
FormulaC17H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5282314
KEGG IDC13946
InChIKeyKGJRSNOTKLROQM-QXMHVHEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H
,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-
SMILESOC(=O)C(OC)CCC/C=C\CCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
323.75Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.24Molar
Refractivity
84.55