Structure Database (LMSD)

Common Name
N-(5Z-dodecenoyl)-homoserine lactone
Systematic Name
N-(5Z-dodecenoyl)-homoserine lactone
Synonyms
  • 5-cis-C12-HSL
LM ID
LMFA08030050
Status
Active
Exact Mass
Calculate m/z
281.199094
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XFLVKPDDQHQQTB-ZPIQOJFGSA-N
InChi (Click to copy)
InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-15-12-13-16(19)20-15/h7-8,15H,2-6,9-13H2,1H3,(H,17,18)/b8-7-/t15-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\CCCCCC)(=O)N[C@@H]1OC(=O)CC1

References

Reference
A marine Mesorhizobium sp. produces structurally novel long-chain N-acyl-L-homoserine lactones.
Appl Environ Microbiol, 2007
DOI: 10.1128/aem.02344-06
PMID: 17400774

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mesorhizobium sp. R8-Ret-T53-13d (#367930)
Alphaproteobacteria (#28211)
A marine Mesorhizobium sp. produces structurally novel long-chain N-acyl-L-homoserine lactones.,
Appl Environ Microbiol, 2007
Pubmed ID: 17400774

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 302.45
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.75
Molar Refractivity 79.52

Admin

Created at
27th Nov 2020
Updated at
27th Nov 2020