Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170029
Common NameOctadecanedioic acid
Systematic NameOctadecanedioic acid
Synonyms-
Exact Mass
314.2457 (neutral)    Calculate m/z:
FormulaC18H34O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID5651
PubChem CID70095
HMDB IDHMDB0000782
InChIKeyBNJOQKFENDDGSC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-1
6H2,(H,19,20)(H,21,22)
SMILESC(CCCCCCCCCCCCCCCCC(=O)O)(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
349.84Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP5.40Molar
Refractivity
89.14