Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170018
Common NameTetradecanedioic acid
Systematic NameTetradecanedioic acid
Synonyms-
Exact Mass
258.1831 (neutral)    Calculate m/z:
FormulaC14H26O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID1815
PubChem CID13185
KEGG IDC11002
HMDB IDHMDB0000872
SWISSLIPIDS IDSLM:000000723
InChIKeyHQHCYKULIHKCEB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16
)(H,17,18)
SMILESC(CCCCCCCCCCCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
280.64Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.84Molar
Refractivity
70.68