Structure Database (LMSD)

O O O N H
Common Name
N-(7-methyloctanoyl)homoserine lactone
Systematic Name
N-(7-methyloctanoyl)homoserine lactone
Synonyms
LM ID
LMFA08030041
Formula
C13H23NO3
Exact Mass
Calculate m/z
241.167794
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Fatty acyl homoserine lactones [FA0803]

String Representations

InChiKey (Click to copy)
KUHGURYHJUOXBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H23NO3/c1-10(2)6-4-3-5-7-12(15)14-11-8-9-17-13(11)16/h10-11H,3-9H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(CCCCCC(C)C)(=O)NC1C(=O)OCC1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aeromonas veronii (#654)
Gammaproteobacteria (#1236)
New structural variants of homoserine lactones in bacteria.,
Chembiochem, 2009
Pubmed ID: 19533714

Other Databases

PubChem CID
171120639

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 253.19
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.60
Molar Refractivity 66.43

Admin

Created at
6th Nov 2020
Updated at
6th Nov 2020