Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08030003
Common NameN-(3-oxo-hexanoyl)-homoserine lactone
Systematic NameN-(3-oxo-hexanoyl)-homoserine lactone
SynonymsN-(3-Oxohexanoyl)homoserine lactone
Exact Mass
213.1001 (neutral)    Calculate m/z:
FormulaC10H15NO4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassFatty acyl homoserine lactones [FA0803]
Alternative ClassesOxo fatty acids[FA0106]
PubChem CID119133
KEGG IDC11839
InChIKeyYRYOXRMDHALAFL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13
)
SMILESC1(CCOC1=O)NC(=O)CC(=O)CCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
207.44Topological Polar
Surface Area
74.54Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP0.75Molar
Refractivity
53.04