AHL_3OC12 – N-(3-Oxododecanoyl)homoserine lactone

Name
WID AHL_3OC12 View in model
Name N-(3-Oxododecanoyl)homoserine lactone View in model
Traditional name 3-oxo-N-(2-oxooxolan-3-yl)dodecanamide
IUPAC name 3-oxo-N-(2-oxooxolan-3-yl)dodecanamide
Cross references PubChem: 14002, ChEBI: 607680, KEGG: C11840, BioCyc: CPD-10783
 
Structure
Empirical formula (pH 7.5) H27C16N1O4
SMILES (pH 7.5) CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 297.39 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
298.34
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 725.90
pI 3.81
logP 2.95
logD (pH 7.5) 2.95
 
Comments
Comments P. aeruginosa LasR (LuxR homolog) 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