Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080016
Common Name15-methoxy-tricosanoic acid
Systematic Name15-methoxy-tricosanoic acid
Synonyms-
Exact Mass
384.3603 (neutral)    Calculate m/z:
FormulaC24H48O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID15389272
InChIKeyXAHQMQMCLFTERG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H48O3/c1-3-4-5-6-14-17-20-23(27-2)21-18-15-12-10-8-7-9-11-13-16-19-2
2-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
SMILESC(CCCCCCCCCCCC(OC)CCCCCCCC)CC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
447.49Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP8.19Molar
Refractivity
116.96