AHL_3OC6 – N-(3-Oxohexanoyl)homoserine lactone

Name
WID AHL_3OC6 View in model
Name N-(3-Oxohexanoyl)homoserine lactone View in model
Traditional name 3-oxo-N-(2-oxooxolan-3-yl)hexanamide
IUPAC name 3-oxo-N-(2-oxooxolan-3-yl)hexanamide
Cross references ChEBI: 116841, PubChem: 14001, KEGG: C11839, BioCyc: CPD-10780
 
Structure
Empirical formula (pH 7.5) H15C10N1O4
SMILES (pH 7.5) CCCC(CC(=O)NC1CCOC1=O)=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 213.23 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
196.49
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 166.00
pI 3.81
logP 0.280
logD (pH 7.5) 0.280
 
Comments
Comments V. fischeri LuxR agonist [PUB_0209]
References
  1. Nasser W, Reverchon S. New insights into the regulatory mechanisms of the LuxR family of quorum sensing regulators. Anal Bioanal Chem 387, 381-90 (2007). WholeCell: PUB_0209, PubMed: 16953322

 
Metadata
Created 2012-10-01 15:06:50
Last updated 2012-10-01 15:11:53