Structure Database (LMSD)
Common Name
N-(3-oxododecanoyl) homoserine lactone
Systematic Name
N-(3-oxododecanoyl) homoserine lactone
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PHSRRHGYXQCRPU-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
SMILES (Click to copy)
N([C@H]1CCOC1=O)C(CC(=O)CCCCCCCCC)=O
References
Reference
Structure of the autoinducer required for expression of Pseudomonas aeruginosa virulence genes
Proc Natl Acad Sci U S A. 1994
10.1073/pnas.91.1.197
8278364
Proc Natl Acad Sci U S A. 1994
10.1073/pnas.91.1.197
8278364
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas aeruginosa
(#287)
Gammaproteobacteria
(#1236)
Structure of the autoinducer required for expression of Pseudomonas aeruginosa virulence genes,
Proc Natl Acad Sci U S A., 1994
Proc Natl Acad Sci U S A., 1994
Pubmed ID:
8278364
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
Rotatable Bonds
11
Van der Waals Molecular Volume
311.24
Topological Polar Surface Area
74.54
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.09
Molar Refractivity
80.74
Admin
Created at
-
Updated at
17th Nov 2020