Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170121
Common NameOxoadipic acid
Systematic Name2-oxo-hexanedioic acid
Synonyms-
Exact Mass
160.0372 (neutral)    Calculate m/z:
FormulaC6H8O5
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID71
HMDB IDHMDB0000225
InChIKeyFGSBNBBHOZHUBO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
SMILESC(=O)(O)C(=O)CCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
148.39Topological Polar
Surface Area
91.67Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP-0.11Molar
Refractivity
34.13