Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080034
Common Name7(S)-methoxy-tetradec-4E-enoic acid
Systematic Name7(S)-methoxy-tetradec-4E-enoic acid
Synonyms-
Exact Mass
256.2038 (neutral)    Calculate m/z:
FormulaC15H28O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID-
InChIKeyDHIPOEWPWSLXNL-KGXGESDWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H28O3/c1-3-4-5-6-8-11-14(18-2)12-9-7-10-13-15(16)17/h7,9,14H,3-6,8,1
0-13H2,1-2H3,(H,16,17)/b9-7+/t14-/m0/s1
SMILESC(CCCC)CC[C@H](OC)C/C=C/CCC(O)=O
MS Spectra-     
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 Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
289.15Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.46Molar
Refractivity
75.31