Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08030026
Common NameN-decanoyl-homoserine lactone
Systematic NameN-decanoyl-homoserine lactone
SynonymsC10:0-HSL
Exact Mass
255.1834 (neutral)    Calculate m/z:
FormulaC14H25NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassFatty acyl homoserine lactones [FA0803]
PubChem CID-
InChIKeyTZWZKDULKILUPV-LBPRGKRZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,
1H3,(H,15,16)/t12-/m0/s1
SMILES[C@@H]1(CCOC1=O)NC(=O)CCCCCCCCC
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 Atoms18Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
270.49Topological Polar
Surface Area
57.47Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.13Molar
Refractivity
71.12