Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170006
Common NameSebacic acid (W)
Systematic NameDecanedioic acid
SynonymsIponic acid; Ipomic acid
Exact Mass
202.1205 (neutral)    Calculate m/z:
FormulaC10H18O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
AbbrevFA 10:1;O2
LIPIDAT ID1818
PubChem CID5192
KEGG IDC08277
HMDB IDHMDB0000792
CHEBI ID41865
PlantFA ID10242
SWISSLIPIDS IDSLM:000000722
InChIKeyCXMXRPHRNRROMY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
Click to highlight InChI
SMILES
C(CCCCCCCCC(=O)O)(=O)O
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume		211.44Topological Polar
Surface Area		74.60Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP2.28Molar
Refractivity		52.21