Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080030
Common Name11-methoxy-heptadecanoic acid
Systematic Name11-methoxyheptadecanoic 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 CID-
InChIKeyASIMYHUYTWMYIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H36O3/c1-3-4-5-11-14-17(21-2)15-12-9-7-6-8-10-13-16-18(19)20/h17H,3-
16H2,1-2H3,(H,19,20)
SMILESCCCCCCC(OC)CCCCCCCCCC(=O)O
StatusActive
ReferencesNew advances in the chemistry of methoxylated lipids. N. M. Carballeira. Progress in Lipid Research. Volume 41, Issue 6, November 2002, Pages 437-456.

https://www.sciencedirect.com/science/article/pii/S016378270200005X?via%3Dihub%3Dihub


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