Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08030025
Common NameN-hexanoyl-homoserine lactone
Systematic NameN-hexanoyl-homoserine lactone
SynonymsC6:0-HSL
Exact Mass
199.1208 (neutral)    Calculate m/z:
FormulaC10H17NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassFatty acyl homoserine lactones [FA0803]
PubChem CID-
InChIKeyZJFKKPDLNLCPNP-QMMMGPOBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t
8-/m0/s1
SMILES[C@@H]1(CCOC1=O)NC(=O)CCCCC
StatusActive
ReferencesCharacterization of N-Acylhomoserine Lactones Produced by Bacteria Isolated from Industrial Cooling Water Systems. Noriya Okutsu, Tomohiro Morohoshi, Xiaonan Xie, Norihiro Kato and Tsukasa Ikeda. Sensors 2016, 16(1), 44; https://doi.org/10.3390/s16010044
https://www.mdpi.com/1424-8220/16/1/44/htm
Calculated physicochemical properties (?):
 Heavy Atoms14Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
201.29Topological Polar
Surface Area
57.47Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP1.57Molar
Refractivity
52.65