Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170001
Common NameSuberic acid (W)
Systematic Name1,8-octanedioic acid
SynonymsCork acid
Exact Mass
174.0892 (neutral)    Calculate m/z:
FormulaC8H14O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
PubChem CID10457
KEGG IDC08278
HMDB IDHMDB0000893
CHEBI ID9300
PlantFA ID10241
SWISSLIPIDS IDSLM:000000721
InChIKeyTYFQFVWCELRYAO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
SMILESOC(CCCCCCC(=O)O)=O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
176.84Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP1.50Molar
Refractivity
42.97