Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080014
Common Name9-methoxy-heptadecanoic acid
Systematic Name9-methoxy-heptadecanoic acid
Synonyms-
Exact Mass
300.2664 (neutral)    Calculate m/z:
FormulaC18H36O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID15389270
InChIKeyOJVARKQKLHOOKH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O3/c1-3-4-5-6-8-11-14-17(21-2)15-12-9-7-10-13-16-18(19)20/h17H,3-
16H2,1-2H3,(H,19,20)
SMILESC(CCCCCCCC(OC)CCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
343.69Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.85Molar
Refractivity
89.26